The influence of iron coordination compounds on producing capacity of some crops

International Nuclear Information System (INIS)

Rakhimova, M.M.; Yusupov, Z.N.; Nurmatov, T.M.; Dzhafarov, M.I.

1993-01-01

Present article is devoted to influence of iron coordination compounds on producing capacity of some crops. The influence of aqueous solutions of iron coordination compounds with anions of acetic and ethylen diamin disuccinic acids on germinative energy and germination of cotton crops and grapes was studied in laboratory conditions. The conducted researches shown that application of iron coordination compounds improves the growth, fruiting and the quality of studied crops.

Comprehensive coordination chemistry. The synthesis, reactions, properties and applications of coordination compounds. V.3. Main group and early transition elements

International Nuclear Information System (INIS)

Wilkinson, Geoffrey; Gillard, R.D.; McCleverty, J.A.

1987-01-01

Comprehensive coordination chemistry reviews the synthesis reactions and properties of coordination compounds. Their uses in such diverse fields as nuclear fuels, toxicology, medicine and biology are discussed. Volume three concentrates on the main group and early transition element coordination compounds. (UK)

Luminescence properties of copper(I), zinc(II) and cadmium(II) coordination compounds with picoline ligands

Energy Technology Data Exchange (ETDEWEB)

Małecki, Jan Grzegorz, E-mail: gmalecki@us.edu.pl; Maroń, Anna

2017-06-15

Mononuclear coordination compounds of copper(I) – [Cu(PPh{sub 3}){sub 2}(picoline)(NO{sub 3})], zinc(II) – [ZnCl{sub 2}(picoline){sub 2}] (picoline=3– and 4–methylpyridine) and polymeric cadmium(II) – [CdCl{sub 2}(β-picoline){sub 2}]{sub n} were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. Single crystal X-ray crystallography revealed distorted tetrahedral geometry around the central ions of the compounds. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. The emission of copper(I) compounds originated from metal-to-ligand charge transfer state combined with nitrato-to-picoline charge transfer state i.e. ({sup 1}(M+X)LCT). The presence of nitrato ligand in the coordination sphere of copper(I) compounds quenches the emission. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution). - Graphical abstract: Coordination compounds of copper(I), zinc(II) and polymeric cadmium(II) with picoline ligands were prepared and their luminescence properties in solid state and acetonitrile solutions were determined. The compounds exhibit green photoluminescence in solid state and in acetonitrile solutions. Emission of copper(I) compounds originated from {sup 1}(M+X)LCT state. Luminescence of zinc(II) and cadmium(II) compounds results from chloride-to-picoline charge transfer state and the quantum efficiency in the case of the polymeric Cd(II) compound reaches 39%. The photoluminescence quantum yields of the mononuclear zinc(II) compounds vary from 10 to 16% depending on the conditions (solid state, solution).

Structural studies of novel coordination compounds run in the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

International Nuclear Information System (INIS)

Antipin, M.Yu.; Starikova, Z.A.; Yanovskij, A.I.; Dolgushin, F.M.; Lysenko, K.A.; Khrustalev, V.N.; Vorontsov, I.I.; Korlyukov, A.A.; Andreev, G.B.; Neretin, I.S.

2001-01-01

The results of the investigation into structural chemistry of coordination compounds taking place in the X-ray Laboratory of the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences are given. The review gives an idea on the tendencies to structural researches of complexes of varying categories of coordination compounds, among which are lithium, strontium, cadmium compounds, rare earth compounds, transuranium compounds, transition element compounds, carboranes, fullerenes. An attempt was made to prove the structure and reveal the novel structural and crystallochemical regularities in the studied series of relative compounds. The outlooks for the following progress of studies on this field are determined [ru

Cobalt(ll) Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

Science.gov (United States)

King-Díaz, Beatriz; Montes-Ayala, Josefina; Escartín-Guzmán, Concepción; Castillo-Blum, Silvia E.; Iglesias-Prieto, Roberto; Lotina-Hennsen, Blas; Barba-Behrens, Norah

2005-01-01

In this work we present the synthesis, structural and spectroscopic characterization of Co2+ coordination compounds with ethyl 4-methyl-5-imidazolecarboxylate (emizco). The effects of emizco, the metal salts CoCl2.6H2O, CoBr2, Co(NO3)2.6H2O and their metal coordination compounds [Co(emizco)2Cl2], [Co(emizco)2 Br2].H2O, [Co(emizco)2 (H2O)2(NO2)2.2H2O were evaluated on photosynthesis in spinach chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum and Triticum aestivum and the dicotyledonous species Trifolium alexandrinum and Physalis ixocarpa were also assayed under the effect of the compounds and salts. The results showed that cobalt(II) salts and their emizco coordination compounds inhibit photosynthetic electron flow and ATP-synthesis, behaving as Hill reaction inhibitors. Coordination compounds are more potent inhibitors than the salts. It was found that the salts target is at the b6f level while the complexes targets are at QB(D1)-protein and b6f level. The QB inhibition site was confirmed by variable chlorophyll a fluorescence yield. On the other hand, emizco inhibits seed germination, root and shoot development, in both weed and crop species. Cobalt(II) coordination compounds are the most effective photosynthesis inhibitors, but they are less potent than emizco in germination and seedling growth, while the metal salts are the least active of all. PMID:18365092

Coordination compounds of metals with imidazoles and benzimidazoles

International Nuclear Information System (INIS)

Novikova, G.A.; Molodkin, A.K.; Kukalenko, S.S.

1988-01-01

Methods of preparation, composition and structure of UO 2 2+ , Th 4+ , Mo 3+ , Cd 2+ , Ln 3+ metal ion complexes with imidazoles and benzimidazoles are considered in reviews of native and foreign literature of up to 1985. Complexes are customarily prepared by direct interaction of ligands with inorganic salts in different organic solvents. Complex composition is defined by the nature of complexing metal and inorganic salt anion, ligand volume and basicity, as well as solvent characteristics. Effect of R substituent in imidazole and benzimidazole side chain on composition of coordination compounds is considered

Electrochemical reactions at sacrificial electrodes : Part VI. Synthesis of cadmium alkoxides and their coordination compounds

International Nuclear Information System (INIS)

Banait, J.S.; Singh, Baljit

1991-01-01

Cadmium alkoxides [Cd(OR) 2 ; R=methyl, ethyl, n-propyl, n-butyl and n-amyl], have been synthesised by the electrolysis of alcohols at a cadmium anode. These alkoxides do not form coordination compounds when refluxed with the ligands like 2,2'-bipyridine, 1,10-phenanthroline, dimethylsulphoxide and acetone. However, coordination compounds with the general formula, Cd(OR) 2 .L, have been prepared when the solutions of these ligands in alcohols are electrolysed at a cadmium anode. The products have been characterised by elemental analyses and IR data. Current efficiencies of all these systems are quite high. (author). 21 refs., 2 tabs

Hydrolysis of Mg(BH4)2 and its coordination compounds as a way to obtain hydrogen

Science.gov (United States)

Solovev, Mikhail V.; Chashchikhin, Oleg V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zyubin, A. S.; Zyubina, T. S.; Kravchenko, O. V.; Zaytsev, Alexey A.; Dobrovolsky, Yu. A.

2018-02-01

Three ligand-stabilized Mg(BH4)2-based complexes have been synthesized and evaluated as potential hydrogen storage media for portable fuel cell applications. The new borohydrides: Mg(BH4)2 × 0.5Et2O and Mg(BH4)2 × diglyme (diglyme - CH3O(CH2)2O(CH2)2OCH3) have been synthesized and examined by X-ray single crystal diffraction method. Hydrolysis reactions of the compounds liberate hydrogen in quantities ranging from 46 to 96% of the theoretical yield. The hydrolysis of Mg(BH4)2 and other borohydrides is also accompanied by the diborane formation. The amount of liberated diborane depends on the Mg-coordination environment. To explain this fact quantum-chemical calculations have been performed. It is shown that formation of Mg-O-Mg-bridges enables the side process of diborane generation. It means that the size and denticity of the ligand directly affects the amount of released diborane. In general, the larger the ligand and the higher its denticity, the smaller is amount of diborane produced. The new compound Mg(BH4)2 × diglyme decomposes without diborane formation that allows one to be considered as a new promising chemical hydrogen storage compound for the practical usage.

Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethylpyridine as Co-ligand

Directory of Open Access Journals (Sweden)

Stefan Suckert

2016-04-01

Full Text Available Reaction of Co(NCS2 with 4-(hydroxymethylpyridine (hmpy leads to the formation of six new coordination compounds with the composition [Co(NCS2(hmpy4] (1, [Co(NCS2(hmpy4] × H2O (1-H2O, [Co(NCS2(hmpy2(EtOH2] (2, [Co(NCS2(hmpy2(H2O2] (3, [Co(NCS2(hmpy2]n∙4 H2O (4 and [Co(NCS2(hmpy2]n (5. They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete complexes, in which the Co(II cations are octahedrally coordinated by two terminal thiocyanato anions and four 4-(hydroxymethylpyridine ligands. Discrete complexes were also observed for compounds 2 and 3 where two of the hmpy ligands were substituted by solvent, either water (3 or ethanol (2. In contrast, in compounds 4 and 5, the Co(II cations are linked into chains by bridging 4-(hydroxymethylpyridine ligands. The phase purity was checked with X-ray powder diffraction. Thermogravimetric measurements showed that compound 3 transforms into 5 upon heating, whereas the back transformation occurs upon resolvation. Magnetic measurements did not show any magnetic exchange via the hmpy ligand for compound 5.

Sonochemical synthesis of bismuth(III) nano coordination compound and direct synthesis of Bi.sub.2./sub.O.sub.3./sub. nanoparticles from a bismuth(III) nano coordination compound precursor

Czech Academy of Sciences Publication Activity Database

Roodsari, M.S.; Shaabani, B.; Mirtamizdoust, B.; Dušek, Michal; Fejfarová, Karla

2015-01-01

Roč. 25, č. 5 (2015), s. 1226-1232 ISSN 1574-1443 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : nano coordination compound * sonochemical method * intramolecular proton transfer * nano bismuth oxide * isoniazid Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.308, year: 2015

Applications of chiroptical spectroscopy to coordination compounds

Czech Academy of Sciences Publication Activity Database

Wu, Tao; You, X. Z.; Bouř, Petr

2015-01-01

Roč. 284, SI (2015), s. 1-18 ISSN 0010-8545 R&D Projects: GA ČR GA13-03978S; GA ČR GAP208/11/0105 Grant - others:GA AV ČR(CZ) M200550902 Institutional support: RVO:61388963 Keywords : chirality * coordination compounds * chiroptical spectroscopy * new materials Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 12.994, year: 2015

Bis(morpholine) hydrogen bond pincer - a novel series of heteroleptic Cu(II) coordination compounds as receptors for electron rich guests

NARCIS (Netherlands)

Stilinovic, Vladimir; Uzarevic, Krunoslav; Cvrtila, Ivica; Kaitner, Branko

2012-01-01

Crystallisation from morpholine (morph) solutions of copper(II) salts with monovalent anions (A) and 1,3-diketones (Hdkt) yielded nine heteroleptic coordination compounds [Cu(dkt)(morph)(2)A]. The coordination polyhedron of the copper ion in these compounds is a square pyramid with a monovalent

Cd(II) and Zn(II) thiocyanate coordination compounds with 3-ethylpyridine. Synthesis, crystal structures and properties

Energy Technology Data Exchange (ETDEWEB)

Neumann, Tristan; Jess, Inke; Dos Santos Cunha, Cesar; Terraschke, Huayna; Naether, Christian [Kiel Univ. (Germany). Inst. fuer Anorganische Chemie

2018-04-01

Reaction of Cd(NCS){sub 2} and Zn(NCS){sub 2} with 3-ethylpyridine leads to the formation of compounds of compositions M(NCS){sub 2}(3-ethylpyridine){sub 4} (M=Cd, 1-Cd; Zn, 1-Zn) and M(NCS){sub 2}(3-ethylpyridine){sub 2} (M=Cd, 2-Cd; Zn, 2-Zn). 1-Cd and 1-Zn are isotypic and form discrete complexes in which the metal cations are octahedrally coordinated by two trans-coordinating N-bonded thiocyanate anions and four 3-ethylpyridine co-ligands. In 2-Cd the cations are also octahedrally coordinated but linked into chains by pairs of μ-1,3-bridging anionic ligands. 2-Zn is built up of discrete complexes, in which the Zn cation is tetrahedrally coordinated by two N-bonded thiocyanate anions and two 3-ethylpyridine co-ligands. Compounds 1-Cd, 2-Cd and 2-Zn can be prepared in a pure state, whereas 1-Zn is unstable and transforms on storage into 2-Zn. If 1-Cd and 1-Zn are heated, a transformation into 2-Cd, respectively 2-Zn is observed. Luminescence measurements reveal that 1-Cd, 2-Cd and 2-Zn emit light in the blue spectral range with maxima at, respectively, 21724, 21654 and 22055 cm{sup -1}, assigned to ligand-based luminescence.

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

International Nuclear Information System (INIS)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-01-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2 Ge 0.8 Cr 0.2 O 4 , Ba 2 Ge 0.1 Cr 0.9 O 4 , Sr 2 CrO 4 , Ca 2 (PO 4 ) x (CrO 4 ) 1-x Cl (x=0.25,0.5), Ca 5 (CrO 4 ) 3 Cl, CrO 3 , the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3 , CrF 3 , Cr 2 O 3 , KCr(SO 4 ) 2 · 12H 2 O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

Science.gov (United States)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D.

2004-05-01

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca 2Ge 0.8Cr 0.2O 4, Ba 2Ge 0.1Cr 0.9O 4, Sr 2CrO 4, Ca 2(PO 4) x(CrO 4) 1- xCl ( x=0.25,0.5), Ca 5(CrO 4) 3Cl, CrO 3, the octahedrally coordinated compounds Cr(II)-acetate, CrCl 3, CrF 3, Cr 2O 3, KCr(SO 4) 2 · 12H 2O, CrO 2 and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

Coordination compounds of scandium with dimethylsulfoxide and dimethylformamide

International Nuclear Information System (INIS)

Cherkasova, T.G.; Tatarinova, Eh.S.; Tryasunov, B.G.

1991-01-01

The possibility to prepare crystal coordination compounds in the systems ScCl 3 -K 3 [Cr(SCN) 6 ]-DMSO (DMFA) was studied. The complexes isolated were investigated by physicochemical methods. Their composition, behaviour in chemically agressive media, density, electric conductivity of solutions and magnetic susceptibility at 298 K were ascertained

Glass formation via structural fragmentation of a 2D coordination network.

Science.gov (United States)

Umeyama, D; Funnell, N P; Cliffe, M J; Hill, J A; Goodwin, A L; Hijikata, Y; Itakura, T; Okubo, T; Horike, S; Kitagawa, S

2015-08-18

The structure of a glass obtained by the melt quenching of a two-dimensional (2D) coordination network was examined. X-ray analyses disclosed a 2D-to-0D structural transformation before and after glass formation. The mechanism is unique to coordination compounds, as it is characterized by labile and flexible coordination bonds.

Cobalt(ll) Coordination Compounds of Ethyl 4-Methyl-5-Imidazolecarboxylate: Chemical and Biochemical Characterization on Photosynthesis and Seed Germination

OpenAIRE

King-Díaz, Beatriz; Montes-Ayala, Josefina; Escartín-Guzmán, Concepción; Castillo-Blum, Silvia E.; Iglesias-Prieto, Roberto; Lotina-Hennsen, Blas; Barba-Behrens, Norah

2005-01-01

In this work we present the synthesis, structural and spectroscopic characterization of Co2+ coordination compounds with ethyl 4-methyl-5-imidazolecarboxylate (emizco). The effects of emizco, the metal salts CoCl2.6H2O, CoBr2, Co(NO3)2.6H2O and their metal coordination compounds [Co(emizco)2Cl2], [Co(emizco)2 Br2].H2O, [Co(emizco)2 (H2O)2(NO2)2.2H2O were evaluated on photosynthesis in spinach chloroplasts. Seed germination and seedling growth of the monocotyledonous species Lolium multiflorum...

The influence of coordination geometry and valency on the K-edge absorption near edge spectra of selected chromium compounds

Energy Technology Data Exchange (ETDEWEB)

Pantelouris, A.; Modrow, H.; Pantelouris, M.; Hormes, J.; Reinen, D

2004-05-10

X-ray absorption spectra at the chromium K-edge are reported for a number of selected chromium compounds of known chemical structure. The spectra were obtained with use of synchrotron radiation available at the ELectron Stretcher Accelerator ELSA in Bonn. The compounds studied include the tetrahedrally coordinated compounds Ca{sub 2}Ge{sub 0.8}Cr{sub 0.2}O{sub 4}, Ba{sub 2}Ge{sub 0.1}Cr{sub 0.9}O{sub 4}, Sr{sub 2}CrO{sub 4}, Ca{sub 2}(PO{sub 4}){sub x}(CrO{sub 4}){sub 1-x}Cl (x=0.25,0.5), Ca{sub 5}(CrO{sub 4}){sub 3}Cl, CrO{sub 3}, the octahedrally coordinated compounds Cr(II)-acetate, CrCl{sub 3}, CrF{sub 3}, Cr{sub 2}O{sub 3}, KCr(SO{sub 4}){sub 2} {center_dot} 12H{sub 2}O, CrO{sub 2} and cubic coordinated metallic chromium. In these compounds chromium exhibits a wide range of formal oxidation states (0 to VI). The absorption features in the near edge region are shown to be characteristic of the spatial environment of the absorbing atom. The occurrence of a single pre-edge line easily allows one to distinguish between tetrahedral and octahedral coordination geometry, whereas the energy position of the absorption edge is found to be very sensitive to the valency of the excited chromium atom. Calculations of the ionisation potential of Cr in different oxidation states using the non-relativistic Hartree-Fock method (Froese-Fischer) confirm that the ionisation limit shifts to higher energy with increasing Cr valency. More detailed information on the electronic structure of the different compounds is gained by real-space full multiple scattering calculations using the FEFF8 code.

Synthesis of a 1-Aryl-2,2-chlorosilyl(phosphasilene Coordinated by an N-Heterocyclic Carbene

Directory of Open Access Journals (Sweden)

Andreas Wolfgang Kyri

2016-09-01

Full Text Available Phosphasilenes, P=Si doubly bonded compounds, have received considerable attention due to their unique physical and chemical properties. We report on the synthesis and structure of a chlorophosphasilene coordinated by an N-heterocyclic carbene (NHC, which has the potential of functionalization at the Si–Cl moiety. Treatment of a silylphosphine, ArPH–SiCl2RSi (Ar = bulky aryl group, RSi = Si(SiMe33 with two equivalents of Im-Me4 (1,3,4,5-tetramethylimidazol-2-ylidene afforded the corresponding NHC-coordinated phosphasilene, ArP=SiClRSi(Im-Me4 as a stable compound. Bonding properties of the P=Si bond coordinated to an NHC will be discussed on the basis of theoretical calculations.

Coordination compounds of the nitrate salts of oxycation uranyl (UO22+) and praseodymium(III), neodymium(III) and erbium(III) with 2,2'-bipyridine-1,1'-dioxide

International Nuclear Information System (INIS)

Madan, S.; Chan, K.S.

1977-01-01

Coordination compounds with 2,2'-bipyridine-1,1'-dioxide (bipyO 2 ) having the composition [UO 2 (bipyO 2 ) 2 (NO 3 ) 2 ].4H 2 O, [Pr(bipyO 2 ) 4 (NO 3 ) 2 ]NO 3 .2H 2 O, [Dy(bipyO 2 ) 4 (NO 3 ) 2 ]NO 3 .4H 2 O and [Er(bipyO 2 ) 4 (NO 3 ) 2 ]NO 3 .4H 2 O have been synthesized. These new complexes have been characterized by electrical conductance, X-ray powder patterns and IR spectral measurements. (author)

Syntheses, spectroscopic and magnetic properties of polystyrene-anchored coordination compounds of thiazolidinone

Directory of Open Access Journals (Sweden)

D. Kumar

2014-01-01

Full Text Available The reaction between polystyrene 3-formylsalicylate and furoic acid hydrazide in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-carbamoylfuranyl-3'-carboxy-2'-hydroxybenzylideneimine (I. A benzene suspension of I reacts with mercaptoacetic acid and forms the polystyrene N-(2-carbamoylfuranyl-C-(3'-carboxy-2'-hydroxyphenylthiazolidin-4-one, PSCH2–LH2 (II. A DMF suspension of II reacts with Mn(II, Ni(II, Cd(II, Fe(III and UO2(VI ions and forms the polystyrene-anchored coordination compounds of the types, [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3], [PSCH2–LCd(DMF], [PSCH2–LH2FeCl3] and [PSCH2–LHUO2(NO3(DMF]. The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance studies and magnetic susceptibility measurements. II acts as a neutral tridentate ONO donor ligand in [PSCH2–LH2FeCl3], a monobasic tridentate ONO donor ligand in [PSCH2–LHUO2(NO3(DMF], a dibasic tridentate ONO donor ligand in [PSCH2–LMn(DMF3], [PSCH2–LNi(DMF3] and [PSCH2–LCd(DMF]. A tetrahedral structure for Cd(II and an octahedral structure for Mn(II, Ni(II, Fe(III and a square-antiprism geometry for UO2(VI complex are suggested. DOI: http://dx.doi.org/10.4314/bcse.v28i1.4

The intra-annular acylamide chelate-coordinated compound: The keto-tautomer of metal (II) milrinone complex

Science.gov (United States)

Gong, Yun; Liu, Jinzhi; Tang, Wang; Hu, Changwen

2008-03-01

In the presence of N, N'-dimethyllformamide (DMF), two isostructural metal (II)-milrinone complexes formulated as M(C 12H 8N 3O) 2 (M = Co 1 and Ni 2) have been synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The two compounds crystallize in the tetragonal system, chiral space group P4 32 12. They exhibit similar two dimensional (2D) square grid-like framework, in which milrinone acts as a ditopic ligand with its terminal pyridine and intra-annular acylamide groups covalently bridging different metal centers. The intra-annular acylamide ligand shows a chelate-coordinated mode. Compounds 1 and 2 are stable under 200 °C. Compound 3 formulated as (C 12H 9N 3O) 4·H 2O was obtained in the presence of water, the water molecule in the structure leads to the racemization of compound 3 and it crystallizes in the monoclinic system, non-chiral space group P2 1/ c. Milrinone exhibits a keto-form in the three compounds and compounds 1- 3 exhibit different photoluminescence properties.

Structures of plutonium coordination compounds: A review of past work, recent single crystal x-ray diffraction results, and what we're learning about plutonium coordination chemistry

Science.gov (United States)

Neu, M. P.; Matonic, J. H.; Smith, D. M.; Scott, B. L.

2000-07-01

The compounds we have isolated and characterized include plutonium(III) and plutonium(IV) bound by ligands with a range of donor types and denticity (halide, phosphine oxide, hydroxamate, amine, sulfide) in a variety of coordination geometries. For example, we have obtained the first X-ray structure of Pu(III) complexed by a soft donor ligand. Using a "one pot" synthesis beginning with Pu metal strips and iodine in acetonitrile and adding trithiacyclononane we isolated the complex, PuI3(9S3)(MeCN)2 (Figure 1). On the other end of the coordination chemistry spectrum, we have obtained the first single crystal structure of the Pu(IV) hexachloro anion (Figure 2). Although this species has been used in plutonium purification via anion exchange chromatography for decades, the bond distances and exact structure were not known. We have also characterized the first plutonium-biomolecule complex, Pu(IV) bound by the siderophore desferrioxamine E.In this presentation we will review the preparation, structures, and importance of previously known coordination compounds and of those we have recently isolated. We will show the coordination chemistry of plutonium is rich and varied, well worth additional exploration.

Ruthenium(II) carbonyl compounds with the 4'-chloro-2,2':6',2''-terpyridine ligand.

Science.gov (United States)

Tatikonda, Rajendhraprasad; Haukka, Matti

2017-04-01

Two ruthenium carbonyl complexes with the 4'-chloro-2,2':6',2''-terpyridine ligand (tpy-Cl, C 15 H 10 ClN 3 ), i.e. [RuCl(tpy-Cl)(CO) 2 ][RuCl 3 (CO) 3 ] (I) [systematic name: cis -di-carbonyl-chlorido(4'-chloro-2,2':6',2''-terpyridine-κ 3 N )ruthenium(II) fac -tricarbonyltri-chlorido-ruthenate(II)], and [RuCl 2 (tpy-Cl)(CO) 2 ] (II) [ cis -dicarbonyl- trans -di-chlorido(4'-chloro-2,2':6',2''-terpyridine-κ 2 N 1 , N 1' )ruthenium(II)], were synthesized and characterized by single-crystal X-ray diffraction. The Ru II atoms in both centrosymmetric structures (I) and (II) display similar, slightly distorted octa-hedral coordination spheres. The coordination sphere in the complex cation in compound (I) is defined by three N atoms of the tridentate tpy-Cl ligand, two carbonyl carbon atoms and one chlorido ligand; the charge is balanced by an octa-hedral [Ru(CO) 3 Cl 3 ] - counter-anion. In the neutral compound (II), the tpy-Cl ligand coordinates to the metal only through two of its N atoms. The coordination sphere of the Ru II atom is completed by two carbonyl and two chlorido ligands. In the crystal structures of both (I) and (II), weak C-H⋯Cl inter-actions are observed.

Coordination compounds of rare-earth metals with organic ligands for electroluminescent diodes

International Nuclear Information System (INIS)

Katkova, M A; Bochkarev, Mikhail N; Vitukhnovsky, Alexey G

2005-01-01

Data on lanthanide coordination compounds with organic ligands used in the design of electroluminescent diodes are summarised and systematically represented. The molecular and electronic structures and spectroscopic characteristics of these compounds are considered. A comparative analysis of the properties of organic electroluminescent diodes with different compositions of emitting and conductive layers is presented.

SYNTHESIS AND ANTITUMOR ACTIVITY OF COPPER, NICKEL AND COBALT COORDINATION COMPOUNDS WITH 1-(2-HYDROXYPHENYLETHANONE N(4-ALLYL-3-THIOSEMICARBAZONE

Directory of Open Access Journals (Sweden)

Vasilii GRAUR

2015-12-01

Full Text Available The paper presents the synthesis of the ligand 1-(2-hydroxyphenylethanone N(4-allyl-3-thiosemicarbazone (H2L and six coordination compounds of copper, nickel and cobalt with this ligand. The structure of thiosemicarbazone H2L was studied using 1H and 13С NMR spectroscopy. The synthesized coordination compounds were studied using elemental analysis, gravimetric analysis of water content, molar conductivity, and magnetochemistry. For H2L the antitumor activity towards human leukemia HL-60 cells and cervical cancer HeLa cells was determined. It was established that the substitution of hydrogen atom with methyl group in the azomethinic fragment leads to the growth of antitumor activity.SINTEZA ŞI ACTIVITATEA ANTITUMORALĂ A COMPUŞILOR COMPLECŞI AI CUPRULUI, NICHELULUI ŞI COBALTULUI CU N(4-ALIL-3-TIOSEMICARBAZONA 1-(2-HIDROXIFENILETANONEILucrarea conţine descrierea sintezei N(4-alil-3-tiosemicarbazonei 1-(2-hidroxifeniletanonei (H2L şi a şase compuşi coordinativi ai cuprului, nichelului şi cobaltului cu acest ligand. Structura tiosemicarbazonei H2L a fost stabilită în baza datelor spectroscopiei RMN 1H şi 13C. Compuşi coordinativi au fost studiaţi cu ajutorul analizei elementale, analizei gravimetrice a conţinutului de apă, conductivitaţii molare şi magnetochimiei. Pentru H2L a fost determinată activitatea antitumorală faţă de celulele leucemiei umane HL-60 şi ale cancerului cervical HeLa. S-a stabilit că înlocuirea atomului de hidrogen cu o grupare metil în fragmentul azomethinic conduce la creşterea activitaţii antitumorale.

Investigation of Sm(3) and Eu(3) coordination compounds with pyrazolones by IR spectroscopy method

International Nuclear Information System (INIS)

Panyushkin, V.T.; Grishenko, T.V.; Afanas'ev, Yu.A.; Garnovskij, A.D.; Osipov, O.A.

1978-01-01

The synthesis is described of the coordination nitrate compounds of Sm(3) and Eu(3) with pyrazolones: 4-aminoantipyrine (A), 1-ethylpyridyl- 3-phenyl-pyrazolone-5(B); 1-(3'-ethylpyridyl)-3(phenylamine-n)-pyrazolone-5(C). It has been determined by the infrared spectroscopy method that exocyclic oxygen atom is the place of coordination bond localization in the pentioned compounds. The infrared spectra analysis of complexes in the 1700-1800 cm -1 region makes it possible to mention bidentate character of NO 3 -groups in the studied complex compounds

Gas-phase fragmentation of coordination compounds: loss of CO(2) from inorganic carbonato complexes to give metal oxide ions

Science.gov (United States)

Dalgaard; McKenzie

1999-10-01

Using electrospray ionization mass spectrometry, novel transition metal oxide coordination complex ions are proposed as the products of the collision-induced dissociation (CID) of some carbonato complex ions through the loss of a mass equivalent to CO(2). CID spectra of [(tpa)CoCO(3)](+) (tpa = tris(2-pyridylmethyl)methylamine), [(bispicMe(2)en)Fe(&mgr;-O)(&mgr;-CO(3))Fe(bispicMe(2)en)]2+ (bispicMe(2)en = N,N'-dimethyl-N,N'-bis(2-pyridylmethy)eth- ane-1, 2-diamine) and [(bpbp)Cu(2)CO(3)](+) (bpbp(-) = bis[(bis-(2-pyridylmethyl)amino)methyl]-4-tertbutylpheno-lato(1-)), show peaks assigned to the mono- and dinuclear oxide cations, [(tpa)CoO](+), [(bispicMe(2)en)(2)Fe(2)(O)(2)]2+ and [(bpbp)Cu(2)O](+), as the dominant species. These results can be likened to the reverse of typical synthetic reactions in which metal hydroxide compounds react with CO(2) to give metal carbonato compounds. Because of the lack of available protons in the gas phase, novel oxide species rather than the more common hydroxide ions are generated. These oxide ions are relevant to the highly oxidizing species proposed in oxygenation reactions catalysed by metal oxides and metalloenzymes. Copyright 1999 John Wiley & Sons, Ltd.

Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethyl)pyridine as Co-ligand

OpenAIRE

Stefan Suckert; Luzia S. Germann; Robert E. Dinnebier; Julia Werner; Christian Näther

2016-01-01

Reaction of Co(NCS)2 with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)2(hmpy))4] (1), [Co(NCS)2(hmpy)4] × H2O (1-H2O), [Co(NCS)2(hmpy)2(EtOH)2] (2), [Co(NCS)2(hmpy)2(H2O)2] (3), [Co(NCS)2(hmpy)2]n∙4 H2O (4) and [Co(NCS)2(hmpy)2]n (5). They were characterized by single crystal and powder X-ray diffraction experiments, thermal and elemental analysis, IR and magnetic measurements. Compound 1 and 1-H2O form discrete comple...

Association of coordination compounds of cobalt and molybdenum in solution

Energy Technology Data Exchange (ETDEWEB)

Kudryavtsev, A.B.; Sapunov, V.N. (Moskovskij Lesotekhnicheskij Inst. (USSR))

1981-01-01

Association of acetylacetonates Co(2) and MoO/sub 2/(6) in CHCl/sub 3/ is studied using the PMR method. In the absence of hydroxyl-containing substances the compounds form labile complex with the bond through molybdenyl oxygen. Equilibrium constant at 23 deg is equal to 2.2+-0.6 l/mol. Alcohol introduction results in partial dischelating of MoO/sub 2/(Acac)/sub 2/ and formation of mixed acetylacetonate-alcoholate complex of molybdenyl. Equilibrium constant of the reaction at 23 deg constitutes 0.14+-0.02 l/mol. Under the conditions Co(2) acetylacetonate is introduced into the first coordination sphere of MoO/sub 2/, the splitting off of the second acetylacetonate ligand and formation of strong associate which might condition the decrease of catalytic activity of mixed cobaltmolybdenum catalysts of epoxidation.

Six coordination compounds: mode of cytotoxic action and biological evaluation

Directory of Open Access Journals (Sweden)

ali aydin

2016-09-01

Full Text Available This study describes the biological and anticancer properties of followed coordination compounds. IR spectra, magnetic properties, thermal analyses and crystal structures of six cyanido-complexes derivatives with [MII(CN4]2- (MII= Ni and Pd and [Co(CN6]3- anions and N-bishydeten (N,N-bis(2-hydroxyethylethylenediamine as a capping ligand have been previously reported. Here, we investigated these complexes denoted as[Ni(N-bishydetenNi(CN4] (C1, [Zn2(N-bishydeten2Ni(CN4] (C2, [Ni(N-bishydetenPd(CN4] (C3, [Cd(N-bishydeten2][Pd(CN4] (C4, [Ni2(N-bishydeten2Co(CN6].3H2O (C5 and K[Cd(N-bishydetenCo(CN6].1.5H2O (C6, which were tested for their anti-proliferative activity against human cervical cancer (HeLa, human colon cancer (HT29, rat glioma (C6 and African green monkey kidney (Vero cell lines. The DNA/BSA binding affinities of these compounds were also elucidated by spectroscopic titrations, displacement experiments and electrophoresis measurements. Studies on cancerous cells revealed that C1, C2, C4 and C6 exhibited significant antitumor activity and inhibited tumor progression in testing cell lines and showed high solubility in the solvent. Absorbance and emission spectra data results revealed that the complexes interact with the DNA via groove binding mode of interaction. Overall, these compounds have been found to demonstrate effective anti-proliferative activity against the cancer cell lines, indicating that they are a potent candidate for preclinical or clinical study.

Implant-bone boundary, management with coordinative of zinc and vanadium compounds

International Nuclear Information System (INIS)

Granciuc, Victoria; Manascurta, Ghenadie; Granciuc, Gheorge

2013-01-01

Theoretical concept about description of the implant integration into the bone on a microscopic view remains to be a wide studied subject. The study of the morphological samples with sections on the border implant-bone had been done on different depths and sides of the implant using hematoxylin-eosin stain. Remarkable result had been observed on comparative analysis of studied groups on administrating TS-2Z and TS-1Z,TS-9V that did stimulate bone regeneration. Histological studies confirm the results of improvement of biochemical and blood indexes after implant surgery at the laboratory animals that had received coordinative compounds of Zn(L-H)2; Zn(L-H)etazol; [Vo(L- H)etazol]2SO4. (authors)

Coordination, non-coordination and semi-coordination of perchlorates in the lanthanide adducts Ln (CLO4)3. 6dmba

International Nuclear Information System (INIS)

Tfouni, E.; Giesbrecht, E.

1983-01-01

The coordination or not of the perchlorate anions in the previously reported Ln(CLO 4 ) 3 .6 dmba is discussed. The analysis of the infrared spectral data and molar conductance data indicate that they may be formulated as [Ln(dmba) 6 (CLO 4 )n] (CLO 4 ) sub(3-n), n=0,1,2. The individual compounds may be a mixture of species with different n values and/or pure compounds with semi-coordinated and non-coordinated perchlorates. (Author) [pt

Coordination Compounds of Co Ni , Cu , Zn , Cd and Hg with ...

African Journals Online (AJOL)

CLEMENT O BEWAJI

Bipin B. Mahapatra* and Saroj Ku. Panda. **. **P.G. Department of Chemistry, G.M. (Autonomous) College, Sambalpur – 768004 (Orissa). India. Telephone ..... Ferraro, J.R: Low Frequency Vibration of Inorganic and Co-ordination Compound Plenum press, New York. USA: (1971). 10. Sacconi. L: J. Inorg. Nucl. Chem., 18 ...

Nd(III) and Dy(III) coordination compounds based on 1H-tetrazolate-5-acetic acid ligands: Synthesis, crystal structures and catalytic properties

Energy Technology Data Exchange (ETDEWEB)

Li Qiaoyun; Chen Dianyu; He Minghua [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Yang Gaowen, E-mail: ygwsx@126.com [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China); Shen Lei; Zhai Chun; Shen Wei; Gu Kun; Zhao Jingjing [Jiangsu Laboratory of Advanced Functional Materials, Department of Chemistry and Materials Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu (China)

2012-06-15

Reactions of 1H-tetrazolate-5-acetic acid(H{sub 2}tza) with Nd(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O or Dy(NO{sub 3}){sub 3}{center_dot}6H{sub 2}O with the presence of KOH under solvothermal conditions, produced two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)]. Both compounds were structurally characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. Compounds 1 and 2 reveal 1D structures via bridging tza as linker. Furthermore, the compounds 1 and 2 showed a specific and good catalytic behavior for the polymerization of styrene, and the polymerization showed controlled characteristics. - Graphical Abstract: Two new coordination compounds, [M{sub 2}(tza){sub 3}(H{sub 2}O){sub 6}]{center_dot}2H{sub 2}O [M=Nd(1), Dy(2)] have been synthesis. 1 and 2 reveal 1D structures via bridging tza as linker, and showed a specific and good catalytic behavior for the polymerization of styrene. Highlights: Black-Right-Pointing-Pointer we have reported two novel compounds formed by H{sub 2}tza and Nd(III) or Dy(III). Black-Right-Pointing-Pointer Compounds 1 and 2 were found to have catalysis property for the photo-polymerization of styrene. Black-Right-Pointing-Pointer The high molecular weight polymers with narrow molecular weight distributions were obtained.

Chlorobis(2,2,2-trifluoroethoxy) and dichloro(2,2,2-trifluoroethoxy)-vanadium(III): synthesis and coordination chemistry

International Nuclear Information System (INIS)

Chadha, S.L.; Uppal, K.

1987-01-01

VCl(OCH 2 CF 3 ) 2 and VCl 2 (OCH 2 CF 3 ) have been synthesised. They form complexes with monodentate oxygen or nitrogen donor ligands. The magnetic moments for these complexes indicate antiferromagnetic interactions and their electronic spectra are consistent with octahedral coordination of V(III) involving chloride, organoxy ions and the ligands. The i.r. spectra support the alkoxy-bridged structure for these complexes in which the ligands are probably cis to each other. 1 H nmr spectrum of VCl(OCH 2 CF 3 ) 2 shows a sharp quartet suggesting a sharp exchange of terminal and bridging alkoxy groups. 19 F nmr spectra of the parent compounds also show a single sharp band. The mass spectra suggest a dimeric form for both compounds in vapour phase

Syntheses, Characterization, Resolution, and Biological Studies of Coordination Compounds of Aspartic Acid and Glycine

Science.gov (United States)

Akinkunmi, Ezekiel; Ojo, Isaac; Adebajo, Clement; Isabirye, David

2017-01-01

Enantiomerically enriched coordination compounds of aspartic acid and racemic mixtures of coordination compounds of glycine metal-ligand ratio 1 : 3 were synthesized and characterized using infrared and UV-Vis spectrophotometric techniques and magnetic susceptibility measurements. Five of the complexes were resolved using (+)-cis-dichlorobis(ethylenediamine)cobalt(III) chloride, (+)-bis(glycinato)(1,10-phenanthroline)cobalt(III) chloride, and (+)-tris(1,10-phenanthroline)nickel(II) chloride as resolving agents. The antimicrobial and cytotoxic activities of these complexes were then determined. The results obtained indicated that aspartic acid and glycine coordinated in a bidentate fashion. The enantiomeric purity of the compounds was in the range of 22.10–32.10%, with (+)-cis-dichlorobis(ethylenediamine)cobalt(III) complex as the more efficient resolving agent. The resolved complexes exhibited better activity in some cases compared to the parent complexes for both biological activities. It was therefore inferred that although the increase in the lipophilicity of the complexes may assist in the permeability of the complexes through the cell membrane of the pathogens, the enantiomeric purity of the complexes is also of importance in their activity as antimicrobial and cytotoxic agents. PMID:28293149

Synthesis and characterization of an energetic compound Cu(Mtta)2(NO3)2 and effect on thermal decomposition of ammonium perchlorate

International Nuclear Information System (INIS)

Yang, Qi; Chen, Sanping; Xie, Gang; Gao, Shengli

2011-01-01

Highlights: ► A new energetic compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized and structural characterized. ► Sensitivity tests reveal that the compound is insensitive to mechanical stimuli. ► Cu(Mtta) 2 (NO 3 ) 2 accelerates the decomposition of Ammonium perchlorate (AP), which is the key component of composite solid propellant. - Abstract: An energetic coordination compound Cu(Mtta) 2 (NO 3 ) 2 has been synthesized by using 1-methyltetrazole (Mtta) as ligand and its structure has been characterized by X-ray single crystal diffraction. The central copper (II) cation was coordinated by four O atoms from two Mtta ligands and two N atoms from two NO 3 − anions to form a six-coordinated and distorted octahedral structure. 2D superamolecular layer structure was formed by the extensive intermolecular hydrogen bonds between Mtta ligands and NO 3 − anions. Thermal decomposition process of the compound was predicted based on DSC and TG-DTG analyses results. The kinetic parameters of the first exothermic process of the compound were studied by the Kissinger's and Ozawa–Doyle's methods. Sensitivity tests revealed that the compound was insensitive to mechanical stimuli. In addition, compound was explored as additive to promote the thermal decomposition of ammonium perchlorate (AP) by differential scanning calorimetry.

Homogeneous photocatalytic reactions with organometallic and coordination compounds--perspectives for sustainable chemistry.

Science.gov (United States)

Hoffmann, Norbert

2012-02-13

Since the time of Giacomo Ciamician at the beginning of the 20th century, photochemical transformations have been recognized as contributing to sustainable chemistry. Electronic excitation significantly changes the reactivity of chemical compounds. Thus, the application of activation reagents is frequently avoided and transformations can be performed under mild conditions. Catalysis plays a central role in sustainable chemistry. Stoichiometric amounts of activation reagents are often avoided. This fact and the milder catalytic reaction conditions diminish the formation of byproducts. In the case of homogeneous catalysis, organometallic compounds are often applied. The combination of both techniques develops synergistic effects in the sense of "Green Chemistry". Herein, metal carbonyl-mediated reactions are reported. These transformations are of considerable interest for the synthesis of complex polyfunctionalized compounds. Copper(I)-catalyzed [2+2] photocycloaddition gives access to a large variety of cyclobutane derivatives. Currently, a large number of publications deal with photochemical electron-transfer-induced reactions with organometallic and coordination compounds, particularly with ruthenium complexes. Several photochemically induced oxidations can easily be performed with air or molecular oxygen when they are catalyzed with organometallic complexes. Photochemical reaction conditions also play a certain role in C-H activation with organometallic catalysts, for instance, with alkanes, although such transformations are conveniently performed with a variety of other photochemical reactions. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Water molecule-enhanced CO2 insertion in lanthanide coordination polymers

International Nuclear Information System (INIS)

Luo Liushan; Huang Xiaoyuan; Wang Ning; Wu Hongyan; Chen Wenbin; Feng Zihao; Zhu Huiping; Peng Xiaoling; Li Yongxian; Huang Ling; Yue Shantang; Liu Yingliang

2009-01-01

Two new lanthanide coordination polymers H 2 N(CH 3 ) 2 .[Eu III 2 (L 1 ) 3 (L 2 )] (1, L 1 =isophthalic acid dianion, L 2 =formic acid anion) and [La III (2,5-PDC)(L 2 )](2, 2,5-PDC=2,5-pyridinedicarboxylate dianion) were synthesized under solvothermal conditions. It is of interest that the formic ligand (L 2 ) is not contained in the stating materials, but arises from the water molecule-enhanced CO 2 insertion during the solvothermal process. Both of the two compounds exhibit complicated three dimensional sandwich-like frameworks. - Graphical abstract: Two new lanthanide coordination polymers involving water molecule-enhanced CO 2 insertion resulting in the formation of formic anion and dimethylammonium cation were synthesized under solvothermal conditions.

Comprehensive uranium thiophosphate chemistry: Framework compounds based on pseudotetrahedrally coordinated central metal atoms

International Nuclear Information System (INIS)

Neuhausen, Christine; Panthoefer, Martin; Tremel, Wolfgang; Hatscher, Stephan T.; Urland, Werner

2013-01-01

The new ternary compounds UP 2 S 6 , UP 2 S 7 , U(P 2 S 6 ) 2 , and U 3 (PS 4 ) 4 were prepared from uranium metal, phosphorus pentasulfide, and sulfur at 700 C. The crystal structures were determined by single-crystal X-ray diffraction methods. UP 2 S 6 (I) crystallizes in the ZrP 2 S 6 structure type [tetragonal, P4 2 /m, a = 6.8058(7) Aa, c = 9.7597(14) Aa, Z = 2], which consists of central uranium(IV) atoms coordinated by P 2 S 6 4- anions (staggered conformation). The anions are two-dimensional connectors for four uranium cations arranged in one plane. The structure of UP 2 S 7 (II) [orthorhombic, Fddd, a = 8.9966(15) Aa, b = 15.2869(2) Aa, c = 30.3195(5) Aa, Z = 16] is closely related to the monoclinic ZrP 2 S 7 structure type. It consists of U 4+ cations linked by P 2 S 7 4- ligands, the resulting 3D network contains large pores (diameter approx. 3.5 x 16.7 Aa). In the previously reported compound U(P 2 S 6 ) 2 (III) [I4 1 /a, a = 12.8776(9) Aa, c = 9.8367(10) Aa, Z = 2], the metal atoms are coordinated by four bidentate P 2 S 6 2- ligands. This arrangement can be considered as a pseudotetrahedral coordination of the uranium atoms by the linear ligands. Three of the resulting diamondoid frameworks are inseparably interwoven in order to optimize space filling. U 3 (PS 4 ) 4 (IV) [I4 1 /acd, a = 10.7440(9) Aa, c = 19.0969(2) Aa, Z = 2] crystallizes in a defect variant of the PrPS 4 structure type, with 50 % of the U2 sites statistically occupied with uranium atoms. The resulting stoichiometry is U 3 (PS 4 ) 4 with tetravalent uranium atoms. The structure of U 3 (PS 4 ) 4 consists of uranium atoms connected by PS 4 3- groups, each PS 4 group linking four central uranium atoms. Vibrational spectra, which were recorded for I-III, show good agreement between the obtained results and the expected values for the anionic units, while magnetic measurements confirm the presence of tetravalent uranium. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGa

Syntheses, Magnetic and Spectral Studies on the Coordination Compounds of the Polystyrene-anchored Thiazolidin-4-one

Directory of Open Access Journals (Sweden)

Dinesh Kumar

2012-01-01

Full Text Available The reaction between polystyrene 3-formylsalicylate and thiophene-2-carboxylic acid hydrazide in DMF in the presence of ethyl acetate results in the formation of polystyrene N-(2-carbamoylthienyl-3'-carboxy-2'-hydroxybenzylideneimine (I. A benzene suspension of I reacts with mercaptoacetic acid and forms the polystyrene N-(2-carbamoylthienyl-C-(3'-carboxy-2'-hydroxyphenyl thiazolidin-4-one, PSCH2–LH2 (II. A DMF suspension of II reacts with Zn(II, Co(II, Cu(II, Zr(OH2(IV and MoO2(VI ions and forms the corresponding polystyrene-anchored coordination compounds, [PSCH2–LZn(DMF] (III, [PSCH2–LCo(DMF3] (IV, [PSCH2–LHCu(OAc] (V, [PSCH2–LH2Zr(OH2(OAc2] (VI and [PSCH2–LHMoO2(acac] (VII respectively. The polystyrene-anchored coordination compounds have been characterized on the basis of elemental analyses, spectral (IR, reflectance, ESR studies and magnetic susceptibility measurements. II acts as a neutral tridentate ONS donor ligand in VI, a monobasic bidentate OS donor ligand in VII, a monobasic tridentate ONS donor ligand in V and a dibasic tridentate ONO donor ligand in III and IV. The acetato groups behave as monodentate ligands in V and VI. A square-planar structure for V, a tetrahedral structure for III, an octahedral structure for IV and VII and a pentagonal-bipyramidal structure for VI are suggested.

Ruthenium(II carbonyl compounds with the 4′-chloro-2,2′:6′,2′′-terpyridine ligand

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Rajendhraprasad Tatikonda

2017-04-01

Full Text Available Two ruthenium carbonyl complexes with the 4′-chloro-2,2′:6′,2′′-terpyridine ligand (tpy-Cl, C15H10ClN3, i.e. [RuCl(tpy-Cl(CO2][RuCl3(CO3] (I [systematic name: cis-dicarbonylchlorido(4′-chloro-2,2′:6′,2′′-terpyridine-κ3Nruthenium(II fac-tricarbonyltrichloridoruthenate(II], and [RuCl2(tpy-Cl(CO2] (II [cis-dicarbonyl-trans-dichlorido(4′-chloro-2,2′:6′,2′′-terpyridine-κ2N1,N1′ruthenium(II], were synthesized and characterized by single-crystal X-ray diffraction. The RuII atoms in both centrosymmetric structures (I and (II display similar, slightly distorted octahedral coordination spheres. The coordination sphere in the complex cation in compound (I is defined by three N atoms of the tridentate tpy-Cl ligand, two carbonyl carbon atoms and one chlorido ligand; the charge is balanced by an octahedral [Ru(CO3Cl3]− counter-anion. In the neutral compound (II, the tpy-Cl ligand coordinates to the metal only through two of its N atoms. The coordination sphere of the RuII atom is completed by two carbonyl and two chlorido ligands. In the crystal structures of both (I and (II, weak C—H...Cl interactions are observed.

Synthesis and characterisation of thorium and uranium cyanoacetates and their coordination compounds (Preprint No. AL.14)

International Nuclear Information System (INIS)

Deshpande, S.G.; Vaidya, M.A.; Jain, S.C.

1989-01-01

Tetracyanoacetates, M(NCCH 2 COO) 4 (where M=Th or U) and UO 2 (NCCH 2 COO) 2 .H 2 O and their coordination complexes with (CH 3 ) 2 S=0 (DMSO), HCOON(CH 3 ) 2 , (DMF), 1,10-Phenenthrolene (Phen) and 2,2'Bipyridine (Bipy), have been synthesised and characterised by elemental analysis, molecular weight determination, molar conductance measurements, X-ray diffraction and infrared (IR) spectroscopic studies (4000 - 200 cm -1 ). Thermogravimetric analysis of the compounds have been carried out to study the thermal decomposition mode. (author)

Polymer complexes.. XXXX. Supramolecular assembly on coordination models of mixed-valence-ligand poly[1-acrylamido-2-(2-pyridyl)ethane] complexes

Science.gov (United States)

El-Sonbati, A. Z.; El-Bindary, A. A.; Diab, M. A.

2003-02-01

The build-up of polymer metallic supramolecules based on homopolymer (1-acrylamido-2-(2-pyridyl)ethane (AEPH)) and ruthenium, rhodium, palladium as well as platinum complexes has been pursued with great interest. The homopolymer shows three types of coordination behaviour. In the mixed valence paramagnetic trinuclear polymer complexes [( 11)+( 12)] in the paper and in mononuclear polymer complexes ( 1)-( 5) it acts as a neutral bidentate ligand coordinating through the N-pyridine and NH-imino atoms, while in the mixed ligand diamagnetic poly-chelates, which are obtained from the reaction of AEPH with PdX 2 and KPtCl 4 in the presence of N-heterocyclic base consisting of polymer complexes ( 9)+( 10), and in monouclear compounds ( 6)-( 8), it behaves as a monobasic bidentate ligand coordinating through the same donor atoms. In mononuclear compounds ( 13)+( 14) it acts as a monobasic and neutral bidentate ligand coordinating only through the same donor atoms. Monomeric distorted octahedral or trimeric chlorine-bridged, approximately octahedral structures are proposed for these polymer complexes. The poly-chelates are of 1:1, 1:2 and 3:2 (metal-homopolymer) stoichiometry and exhibit six coordination. The values of ligand field parameters were calculated. The homopolymer and their polymer complexes have been characterized physicochemically.

Technology and optical characterization of luminophore coordination compounds Eu(o-MBA)3Phen and NC PEPC/Eu(o-MBA)3Phen

Science.gov (United States)

Bordian, Olga; Verlan, Victor; Culeac, Ion; Iovu, Mihail; Zubareva, Vera

2016-12-01

Were obtained a new nanocomposite (NC) based on poly N-epoxy prolyl carbazol (PEPC) and the coordination compound luminophore Eu(o-MBA)3Phen, where o-MBA is o- methylbenzoic acid and Phen - phenanthroline. Nanocrystals of Eu(o-MBA)3Phen with the dimensions 50 nm were uniformly incorporated into the PEPC polymer matrix with various concentrations. The absorption spectra of coordination compounds and thin layers of NC PEPC/Eu(o-MBA)3Phen revealed 1 intensive absorption bands at 2.02 eV. Photoluminescence (PL) spectra showed an intense red luminescence at 578 - 699 nm, which is assigned to the transitions 4D0->7Fi (i= 0,1,2 3 4) in the 4f-shell of the Eu3+ ion.

Uranyl(VI)-acetylacetonate coordination compounds with various N-heterocyclic ligands

International Nuclear Information System (INIS)

Kawasaki, Takeshi; Nishimura, Tatsuru; Kitazawa, Takafumi

2010-01-01

Seven uranyl(VI) complexes, [UO 2 (acac) 2 (L)] [L=4-methylpyridine (1), 4-ethylpyridine (2), 2,4-dimethylpyridine (3), (-)-nicotine (4), and imidazole (5)], [{UO 2 (acac) 2 } 2 -(4,4'-bipyridine)] (6), and [(2,2'-bipyridine) 2 H][UO 2 (acac)(NO 3 ) 2 ] (7) have been synthesized and characterized crystallographically. The coordination geometry of U has a UNO 6 pentagonal-bipyramidal coordination in 1-6, and a UO 8 hexagonal-bipyramidal coordination in 7. (author)

Sonochemical synthesis, characterization, and effects of temperature, power ultrasound and reaction time on the morphological properties of two new nanostructured mercury(II) coordination supramolecule compounds.

Science.gov (United States)

Hayati, Payam; Rezvani, Ali Reza; Morsali, Ali; Molina, Daniel Ruiz; Geravand, Samira; Suarez-Garcia, Salvio; Villaecija, Miguel Angel Moreno; García-Granda, S; Mendoza-Meroño, Rafael; Retailleau, Pascal

2017-07-01

Two new mercury(II) coordination supramolecular compounds (CSCs) (1D and 0D), [Hg(L)(I) 2 ] n (1) and [Hg 2 (L') 2 (SCN) 2 ]·2H 2 O (2) (L=2-amino-4-methylpyridine and L'=2,6-pyridinedicarboxlic acid), have been synthesized under different experimental conditions. Micrometric crystals (bulk) or nano-sized materials have been obtained depending on using the branch tube method or sonochemical irradiation. All materials have been characterized by field emission scanning electron microscope (FESEM), scanning electron microscopy (SEM), powder X-ray diffraction (PXRD) and FT-IR spectroscopy. Single crystal X-ray analyses on compounds 1 and 2 show that Hg 2+ ions are 4-coordinated and 5-coordinated, respectively. Topological analysis shows that the compound 1 and 2 have 2C1, sql net. The thermal stability of compounds 1 and 2 in bulk and nano-size has been studied by thermal gravimetric (TG), differential thermal analyses (DTA) for 1 and differential scanning calorimetry (DSC) for 2, respectively. Also, by changing counter ions were obtained various structures 1 and 2 (1D and 0D, respectively). The role of different parameters like power of ultrasound irradiation, reaction time and temperature on the growth and morphology of the nano-structures are studied. Results suggest that increasing power ultrasound irradiation and temperature together with reducing reaction time and concentration of initial reagents leads to a decrease in particle size. Copyright © 2017 Elsevier B.V. All rights reserved.

Mercury coordination polymers with flexible ethane-1,2-diyl-bis-(pyridyl-3-carboxylate): Synthesis, structures, thermal and luminescent properties

Energy Technology Data Exchange (ETDEWEB)

Vallejos, Javier [Departamento de Química, Universidad Católica del Norte, Av. Angamos 0610, Antofagasta (Chile); Brito, Iván, E-mail: ivanbritob@yahoo.com [Departamento de Quimica, Universidad de Antofagasta, Av. Angamos 601, Antofagasta (Chile); Cárdenas, Alejandro [Departamento de Física, Universidad de Antofagasta, Av. Angamos 601, Antofagasta (Chile); Llanos, Jaime [Departamento de Química, Universidad Católica del Norte, Av. Angamos 0610, Antofagasta (Chile); Bolte, Michael [Institut für Anorganische Chemie der Goethe—Universität Frankfurt, Max-von-Laue-Strasse 7, D-60438 Frankfurt am Main (Germany); López-Rodríguez, Matías [Instituto de Bio-Orgánica “Antonio González”, Universidad de La Laguna, Astrofísico Francisco Sánchez N° 2, La Laguna, Tenerife (Spain)

2015-03-15

The reaction of the flexible ligand, ethane-1,2-diyl-bis-(pyridyl-3-carboxylate), (L) with HgI{sub 2} and HgBr{sub 2} salts under the same experimental conditions leads to the formation of two coordination polymers with different motifs: ([Hg(L)(Br{sub 2})]){sub n}(1) and ([Hg(L)(I{sub 2})]){sub n}(2). In both compounds, the ligand, (L) acts in a μ2-N:N′-bidentate fashion to link HgBr{sub 2} and HgI{sub 2} units to form a linear and helical chain motif, along [1 0 0] for (1) and [0 0 1] for (2). The ethylene moiety of (L) has gauche and trans conformation in compounds (1) and (2), respectively. The flexible conformation of L produces differences in the optical and crystal properties of the two compounds. - Graphical abstract: This work demonstrates how the HgX{sub 2} units are coordinates by bi-dentate ligand forming polymeric coordination complexes by self-assembly of both chemical units.- Highlights: • News 1-D d{sup 10} transition metal coordination polymers. • The photoluminescent properties have been measured. • The thermal properties have been measured.

Titanium coordination compounds: from discrete metal complexes to metal–organic frameworks

KAUST Repository

Assi, Hala

2017-05-24

Owing to their promise in photocatalysis and optoelectronics, titanium based metal–organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still “unpredictable” reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

Coordination compounds of cobalt (3), chromium (3) and vanadium (3) with s-methylthiosemicarbazone of salicylic aldehyde

Energy Technology Data Exchange (ETDEWEB)

Leovats, V.M.; Gehrbehlehu, N.V.; Tsanich, V.D. (AN Moldavskoj SSR, Kishinev. Inst. Khimii)

1982-04-01

Coordination compounds of trivalent cobalt, chromium and vanadium with S-methylthiosemicarbazone of salicylic aldehyde H/sub 2/L of (Co(HL)/sub 2/)XxnH/sub 2/O (X=Cl, Br, I, NO/sub 3/, ClO/sub 4/), (CoL(NH/sub 3/)/sub 3/)NO/sub 3/, (Co(HL)/sub 2/)/sub 2/(Co(NCS)/sub 4/)x2H/sub 2/O, (CoCl(DH)/sub 2/(H/sub 2/L))xH/sub 2/O, (Cr(HL)/sub 2/)XxnH/sub 2/O (X=Cl, NO/sub 3/), (V(HL)/sub 2/)Clx1/2H/sub 2/O, (M(HL)L)xnH/sub 2/O (M=Co, Cr, V) compositions are synthesized and investigated. It is shown, that H/sub 2/L behaves as a tridentate ligand at the expense of (O, N, N) set of donor atoms. The effective magnetic moment of the compounds is calculated.

Construction of New Coordination Polymers from 4’-(2,4-disulfophenyl)- 3,2’:6’3”-terpyridine: Polymorphism, pH-dependent syntheses, structures, and properties

Energy Technology Data Exchange (ETDEWEB)

Zhang, Li; Li, Chao-Jie; He, Jia-En; Chen, Yin-Yu [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Zheng, Sheng-Run, E-mail: zhengsr@scnu.edu.cn [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Guangzhou, 510006 (China); Fan, Jun [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Zhang, Wei-Guang, E-mail: wgzhang@scnu.edu.cn [School of Chemistry and Environment, South China Normal University, Guangzhou 510006 (China); Guangzhou Key Laboratory of Materials for Energy Conversion and Storage, Guangzhou, 510006 (China)

2016-01-15

Nine new coordination compounds, namely, [Co(HDSPTP){sub 2}(H{sub 2}O){sub 4}]·4H{sub 2}O (H{sub 2}DSPTP=4’-(2,4-disulfophenyl)-3,2’:6’3”-terpyridine, 1 and 2), {[Ni(DSPTP)(H_2O)_4]·3H_2O}{sub n} (3), {[Cu(HDSPTP)_2(H_2O)_3]·8H_2O}{sub n} (4), {[Cu(HDSPTP)_2(H_2O)_3]·6H_2O}{sub n} (5), {[Cu(DSPTP)(H_2O)_2]·H_2O}{sub n} (6), {[Zn(DSPTP)(H_2O)_2]·2H_2O}{sub n} (7), {[Cd(DSPTP)(H_2O)_2]·2H_2O}{sub n} (8), and [Ag{sub 2}(DSPTP)(H{sub 2}O)]{sub n} (9), were constructed based on a new ligand containing both terpyridyl and sulfo groups. The reactions of H{sub 2}DSPTP with Co(NO{sub 3}){sub 2}.6H{sub 2}O resulted in two mononuclear complexes (compounds 1 and 2). They are polymorphisms that display different hydrogen bonding networks. They are selectively synthesized by altering the added alkalis. The reaction of H{sub 2}DSPTP with Ni(NO{sub 3}){sub 2}·6H{sub 2}O resulted in a 1D “S-shaped” coordination chain (compound 3). The reactions of Cu(II) with H{sub 2}DSPTP at different pH value resulted in the following three compounds: two kinds of 1D chains obtained at pH 3.0 and 4.0 for compounds 4 and 5, respectively, and a 3D framework based on binuclear ring units with 4-connected sra topology (Compound 6). The reactions of H{sub 2}DSPTP with ds-block ions resulted in the following three compounds: a Zn(II) (compound 7) and a Cd(II) (compound 8) 3D frameworks with structures similar to that in compound 6, and a 3D framework based on tetranuclear Ag(I) SBUs with binodal (4,8)-connected flu type 3D framework topology. The structural diversity is mainly attributed to the rich coordination modes (from monodentate to µ{sub 7}-mode) and conformations (cis–cis and cis–trans) of HDSPTP{sup −}/DSPTP{sup 2−} ligands and the metal center and can be controllable synthesized by altering the alkalis, and pH value. Thermal stability of all compounds was performed, and the thermal behaviors of compounds 6 and 8 were further explored by PXRD. Compound 6 exhibits

Synthetic structural and biochemical studies of coordination compounds of Bismuth (III) with Schiff bases of sulpha drugs

International Nuclear Information System (INIS)

Khan, Shahina; Gupta, M.K.; Varshney, S; Varshney, A.K.

2006-01-01

The reactions of Bismuth trichloride with Schiff's bases derived from sulpha drugs in 1:1 molar ratio leads to the formation of a new series of coordination compound of Bismuth (III). Their structures have been confirmed on the basis of elemental analysis, ultraviolet, infrared and multinuclear magnetic resonance (1H 13C) spectral studies. The antimicrobial activities of the ligands and their coordination compound have been screened in vitro against the organism Escherichia coli, Stuplhylococus crureus, Prouteus mirabilis, Bacillus thuren giensis, penicilliurn cf.vsogenum, Aspergillns raiger and Fusarium Oxysporum. (author)

Anion effect on the retention of recoil atom of coordination crystalline compounds

International Nuclear Information System (INIS)

Dimotakis, P.N.; Papadopoulos, B.P.

1980-01-01

The anion effect of various cobaltic crystalline compounds - having the same cation and differing in anion -on the retention of neutron activated central cobalt atom has been studied. The cation was trans-dichloro(bis)ethylenediamine cobalt(III) and the anions were simple spherical anions (Cl - , Br - , I - ), planar anions (NO 3 - ), trigonal pyramidal anions (ClO 3 - , BrO 3 - ), tetrahedral anions (SO 4 2- , CrO 4 2- , MnO 4 - ) and linear anions (SCN - ). The cobalt-60 activity after reactor irradiation either in simple Co 2+ cation or in cobaltic complex cation determined the retention values. In all irradiations at ordinary temperature and at liquid nitrogen temperature the results showed an effect of the different anions, depending on the geometry, volume and charge, on the recombination of the recoil cobalt with the ligands in the coordination sphere. (author)

Synthesis and investigation of new heteronuclear [Zn-La] coordination compounds based on unsaturated lanthanum complex with N,N'-tetraethyl-N''-trichloacetylphosphortriamide

International Nuclear Information System (INIS)

Amyirkhanov, O.V.; Sliva, T.Yu.; Moroz, O.V.; Trush, Je.A.; Frits'kij, Yi.O.

2011-01-01

New heteronuclear [Zn-La] coordination compounds, perspective luminescent materials, with general formulas [Zn(Ve)La(X) 2 (Ac)] ({Zn-La;Ve;X}) and [Zn(Vp)La(X) 2 (Ac)] ({Zn-La;Vp;X}) have been synthesized HX=CCl 3 C(O)NHP(O)[N(C 2 H 5 ) 2 ] 2 - N,N'-tetraethyl-N''-trichloracetylphosphortriamide, H 2 Ve and H 2 Vp are products of the condensation of 1,2-diaminoethane and 1,3-diaminopropane with o-vanillin, respectively). The composition of [Zn-La] complexes has been determined, and the coordination mode of a phosphorylated ligand has been suggested by element analysis, IR- and 1 H, 31 P NMR-spectroscopy.

Coordination compounds of metals with imidazoles and benzimidazoles. [Metals: V, Th, Mo, Cd, rare earths, etc

Energy Technology Data Exchange (ETDEWEB)

Novikova, G A; Molodkin, A K; Kukalenko, S S

1988-12-01

Methods of preparation, composition and structure of UO/sub 2//sup 2+/, Th/sup 4+/, Mo/sup 3+/, Cd/sup 2+/, Ln/sup 3+/ metal ion complexes with imidazoles and benzimidazoles are considered in reviews of native and foreign literature of up to 1985. Complexes are customarily prepared by direct interaction of ligands with inorganic salts in different organic solvents. Complex composition is defined by the nature of complexing metal and inorganic salt anion, ligand volume and basicity, as well as solvent characteristics. Effect of R substituent in imidazole and benzimidazole side chain on composition of coordination compounds is considered.

Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

International Nuclear Information System (INIS)

Petrosyants, S.P.; Ilyukhin, A.B.

2005-01-01

Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

Kinetic Control of Intralayer Cobalt Coordination in Layered Hydroxides: CoxoctCoxtet(OH)2(Cl)x(H2O)n

International Nuclear Information System (INIS)

Neilson, James R.; Schwenzer, Birgit; Seshadri, Ram; Morse, Daniel E.

2009-01-01

We report the synthesis and characterization of new structural variants of the isotypic compound with the generic chemical formula, Co 1-0.5x oct Co x tet (OH) 2 (Cl) x (H 2 O) n , all modifications of an α-Co(OH) 2 lattice. We show that the occupancy of tetrahedrally coordinated cobalt sites and associated chloride ligands, x, is modulated by the rate of formation of the respective layered hydroxide salts from kinetically controlled aqueous hydrolysis at an air-water interface. This new level of structural control is uniquely enabled by the slow diffusion of a hydrolytic catalyst, a simple technique. Independent structural characterizations of the compounds separately describe various attributes of the materials on different length scales, revealing details hidden by the disordered average structures. The precise control over the population of distinct octahedrally and tetrahedrally coordinated cobalt ions in the lattice provides a gentle, generic method for modulating the coordination geometry of cobalt in the material without disturbing the lattice or using additional reagents. A mechanism is proposed to reconcile the observation of the kinetic control of the structure with competing interactions during the initial stages of hydrolysis and condensation.

Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

International Nuclear Information System (INIS)

Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping

2014-01-01

Four alkaline-earth coordination polymers, [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba 2 O 11 N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H 2 O)] n (1), [Ba(Pzdc)] n (2), [AgSr(Pzdc)(NO 3 )(H 2 O)] n (3), [Ag 2 Ca(Pzdc) 2 (H 2 O)] n (4) (H 2 Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2

Synthesis, spectral and thermal studies of some dioxouranium(VI) coordination compounds of 4[N -( 4- hydroxy -3- methoxybenzalidene ) amino] antipyrine semicarbazone and 4[N-(3,4,5- trimethoxybenzalidene) amino] antipyrine semicarbazone

International Nuclear Information System (INIS)

Singh, Lakshman; Singh, U.P.; Chakraborti, Indranil

2001-01-01

In view of high coordination compounds formed by actinide metal ions, the present work describes the 8, 9 and 10-coordinated compounds of dioxouranium(IV) with 4[N-(4-hydroxy-3-methoxy-benzalidene) amino] antipyrine semicarbazone (HMBAAPS) and 4[N-(3,4,5-trimethoxybenzalidene) amino] antipyrine semicarbazone (TMBAAPS) with the general composition UO 2 X 2 .L (X = Br - , I - , NCS - or ClO 4 ) and UO 2 X 2 .L (X = NO 3 - or CH 3 COO - , and L HMBAAPS or TMBAAPS). All these complexes were characterized through elemental, spectral and thermal studies. (author)

Syntheses, structural analyses and luminescent property of four alkaline-earth coordination polymers

Energy Technology Data Exchange (ETDEWEB)

Zhang, Sheng; Qu, Xiao-Ni; Xie, Gang; Wei, Qing; Chen, San-Ping, E-mail: sanpingchen@126.com

2014-02-15

Four alkaline-earth coordination polymers, [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized and characterized by single-crystal X-ray diffraction. Compounds 1 and 2 afford 2D layer networks generated by one-dimensional chains containing the [Ba{sub 2}O{sub 11}N] units. Compound 3 is of 2D mixed-metal coordination network formed by one-dimensional chain units, while 4 is of a 3D heterometallic framework. Interestingly, 1 and 2 can undergo reversible SCSC structural transformation upon dehydration/rehydration of coordinated water molecules. In addition, the π–π stacking interactions dominate fluorescent properties of compounds 1 and 2. - Graphical abstract: Four new coordination polymers [Ba(Pzdc)(H{sub 2}O)]{sub n} (1), [Ba(Pzdc)]{sub n} (2), [AgSr(Pzdc)(NO{sub 3})(H{sub 2}O)]{sub n} (3), [Ag{sub 2}Ca(Pzdc){sub 2}(H{sub 2}O)]{sub n} (4) (H{sub 2}Pzdc=2, 3-pyrazinedicarboxylic acid) have been synthesized. Compounds 1–3 display 2D topology structures and compound 4 exhibits a 3D topology structure. Fortunately, 1 and 2 undergo reversible dehydration/rehydration of coordinated water molecules. Display Omitted - Highlights: • All structures are generated by 1D chains. • 1 and 2 show reversible dehydration/rehydration of coordinated water molecules. • The π–π stacking interactions dominate fluorescent properties of compounds 1 and 2.

Synthesis and structure of coordination compounds of N-heteroaromatic angular anthraquinones with gallium(3) and jndium(3) chlorides

International Nuclear Information System (INIS)

Zajtsev, B.E.; Rudnitskaya, O.V.; Zajtseva, V.A.; Molodkin, A.K.; Gorelik, M.V.

1979-01-01

Synthesized for the first time are complex compounds GaCl 3 and InCl 3 with α-pyridine anthraquinone (L') and pyrazine anthraquinone (L'') of the composition GaCl 3 xL 1 ; 1.5GaCl 3 xL''x1.5H 2 O; GaCl 3 xL 1 xHCl; InCl 3 x2L'x2HCl. Usjng the methods of electronic and infrared spectroscopy it has been shown that in a case of InCl 3 complex with L' In atom forms coordination bond with nitrogen atom of pyridine cycle and with carbonyl oxygen with six-member cycle closing. It has been shown that L' is included in the composition of the compounds, obtained in acid medium as the second sphere cation of pyridinium anthraquinone: [InCl 5 ]sup(2-) (L'H + ) 2 , where L'H + - cation of pyridinium anthraquinone

Hydrothermal synthesis of zinc(II)-phosphonate coordination polymers with different dimensionality (0D, 2D, 3D) and dimensionality change in the solid phase (0D→3D) induced by temperature

Energy Technology Data Exchange (ETDEWEB)

Fernández-Zapico, Eva; Montejo-Bernardo, Jose; Fernández-González, Alfonso; García, José R., E-mail: jrgm@uniovi.es; García-Granda, Santiago

2015-05-15

Three new zinc(II) coordination polymers, [Zn(HO{sub 3}PCH{sub 2}CH{sub 2}COO)(C{sub 12}H{sub 8}N{sub 2})(H{sub 2}O)] (1), [Zn{sub 3}(O{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2})](H{sub 2}O){sub 3.40} (2) and [Zn{sub 5}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(O{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 4}](H{sub 2}O){sub 0.32} (3), with different structural dimensionality (0D, 2D and 3D, respectively) have been prepared by hydrothermal synthesis, and their structures were determined by single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic system (P2{sub 1}/c) forming discrete dimeric units bonded through H-bonds, while compounds 2 and 3 crystallize in the triclinic (P−1) and the monoclinic (C2/c) systems, respectively. Compound 3, showing three different coordination numbers (4, 5 and 6) for the zinc atoms, has also been obtained by thermal treatment of 1 (probed by high-temperature XRPD experiments). The crystalline features of these compounds, related to the coordination environments for the zinc atoms in each structure, provoke the increase of the relative fluorescence for 2 and 3, compared to the free phenanthroline. Thermal analysis (TG and DSC) and XPS studies have been also carried out for all compounds. - Graphical abstract: Three new coordination compounds of zinc with 2-carboxyethylphosphonic acid (H{sub 2}PPA) and phenanthroline have been obtained by hydrothermal synthesis. The crystalline structure depends on the different coordination environments of the zinc atoms (see two comparative Zn{sub 6}-moieties). The influence of the different coordination modes of H{sub 2}PPA with the central atom in all structures have been studied, being found new coordination modes for this ligand. Several compounds show a significant increase in relative fluorescence with respect to the free phenanthroline. - Highlights: • Compounds have been obtained modifying the reaction time and the rate of

Effect of Cu(II) coordination compounds on the activity of antioxidant enzymes catalase and superoxide dismutase in patients with colorectal cancer.

Science.gov (United States)

Kubiak, Katarzyna; Malinowska, Katarzyna; Langer, Ewa; Dziki, Łukasz; Dziki, Adam; Majsterek, Ireneusz

2011-03-01

Colorectal cancer (CRC) is a serious medical and economical problem of our times. It is the most common gastrointestinal cancer in the world. In Poland, the treatment and detection of CRC are poorly developed and the pathogenesis is still unclear. One hypothesis suggests a role of reactive oxygen species (ROS) in the pathogenesis of CRC. Experimental studies in recent years confirm the participation of ROS in the initiation and promotion of CRC. The aim of the study was to examine the effect of the following coordination compounds coordination compounds: dinitrate (V) tetra(3,4,5-trimethyl-N1-pyrazole-κN2) copper(II), dichloro di(3,4,5-trimethyl-N1-pyrazole-κN2) copper(II), dinitrate (V) di(1,4,5-trimethyl-N1-pyrazole-κN2) copper(II), dichloro di(1,3,4,5-tetramethyl-N1-pyrazole-κN2) copper(II) on the activity of antioxidant enzymes superoxide dismutase (SOD, ZnCu-SOD) and catalase (CAT) in a group of patients with colorectal cancer (CRC) and in the control group consisting of patients with minor gastrointestinal complaints. The study was conducted in 20 patients diagnosed with colorectal cancer at the age of 66.5±10.2 years (10 men and 10 women) versus the control group of 20 people (10 men and 10 women) aged 57.89±17.10 years without cancer lesions in the biological material - hemolysate prepared in a proportion of 1ml of water per 1 ml of blood. CAT activity was measured by the Beers method (1952), while SOD activity was measured by the Misra and Fridovich method (1972). We found that patients with CRC showed a statistically significant decrease of SOD and CAT activity (CAT - 12,75±1.97 U/g Hb, SOD - 1111.52±155.52 U/g Hb) in comparison with the control group (CAT - 19.65±2,17 U/g Hb, SOD - 2046.26±507.22 U/g Hb). Simultaneously, we observed that the investigated coordination compounds of Cu(II) significantly increased the antioxidant activity of CAT and SOD in patients with CRC (mean: CAT 25.23±4.86 U/g Hb, SOD - 3075.96±940.20 U/g Hb). Patients with

Cobalt(II) and Cobalt(III) Coordination Compounds.

Science.gov (United States)

Thomas, Nicholas C.; And Others

1989-01-01

Presents a laboratory experiment which illustrates the formation of tris(phenanthroline)cobalt complexes in the 2+ and 3+ oxidation states, the effect of coordination on reactions of the ligand, and the use of a ligand displacement reaction in recovering the transformed ligand. Uses IR, UV-VIS, conductivity, and NMR. (MVL)

Structural and antimicrobial studies of coordination compounds of VO(II, Co(II, Ni(II and Cu(II with some Schiff bases involving 2-amino-4-chlorophenol

Directory of Open Access Journals (Sweden)

A. P. MISHRA

2009-05-01

Full Text Available Complexes of tailor-made ligands with life essential metal ions may be an emerging area to answer the problem of multi-drug resistance (MDR. The coordination complexes of VO(II, Co(II, Ni(II and Cu(II with the Schiff bases derived from 2-hydroxyacetophenone/2-chlorobenzaldehyde with 2-ami¬no-4-chlorophenol were synthesized and characterized by elemental analysis, molar conductance, electronic spectra, FT-IR, ESR, FAB mass, thermal and magnetic susceptibility measurements. The FAB mass and thermal data show degradation of the complexes. The ligand A (2-hydroxyacetophenone-2amino-4-chlorophenol behaved as tridentate and ligand B (2-chlorobenzylidene-2-amino-4-chlorophenol as bidentate, coordinating through O and N donors. The complexes [VO(A(H2O]×xH2O, [M(A(H2On]×xH2O for Co and Ni, [Cu(A(H2O] and [VO(B2]×xH2O, [M(B2(H2On] for Co and Cu and [Ni(B2] exhibited coordination numbers 4, 5 or 6. X-ray powder diffraction data (a = 11.00417 Å, b = 11.706081 Å and c = 54.46780 Å showed that [Cu(CACP2(H2O2], complex 8, crystallized in the orthorhombic system. The in vitro biological screening effects of the investigated compounds were tested against the bacteria Escherichia coli, Staphylococcus aureus and Streptococcus fecalis and the fungi Aspergillus niger, Trichoderma polysporum and Candida albicans by the serial dilution method. A comparative study of the MIC values of the Schiff base and their [M(B2(H2O2] complexes (Co(II, complex 6 and Cu(II, complex 8, indicated that the metal complexes exhibited a higher or lower antimicrobial activity than 2-chlorobenzylidene-2-amino-4-chlorophenol as the free ligand (B.

Crystal structure and thermochemical properties of a novel coordination compound sodium pyruvate C3H3O3Na(s)

International Nuclear Information System (INIS)

Gao, Zhen-Fei; Di, You-Ying; Liu, Su-Zhou; Lu, Dong-Fei; Dou, Jian-Min

2014-01-01

Graphical abstract: A novel coordination compound sodium pyruvate C 3 H 3 O 3 Na(s) is synthesised. Elemental analysis and X-ray crystallography are used to characterise the composition and crystal structure of the compound. The lattice potential energy and ionic volume of the anion are obtained from crystallographic data. The standard molar enthalpy of formation of the compound is calculated by an isoperibol solution-reaction calorimeter. Molar enthalpies of dissolution of the compound at various molalities are measured at T = 298.15 K. According to Pitzer’s theory, molar enthalpy of dissolution of the title compound at infinite dilution is calculated. The values of relative apparent molar enthalpies and relative partial molar enthalpies of the solvent and the compound at different concentrations m/(mol · kg −1 ) are derived. - Highlights: • The sodium pyruvate was synthesised and crystal structure was determined. • The enthalpy change of the synthesis reaction was obtained. • Standard molar enthalpy of formation was obtained. • Molar enthalpy of dissolution at infinite dilution was calculated. - Abstract: A novel coordination compound sodium pyruvate C 3 H 3 O 3 Na(s) is synthesised by a liquid phase reaction. The compound has an obvious bioactivity and can be used as the biological carbon source and the chemical identification of primary and secondary alcohols. It can be also used to determinate transaminase. Elemental analysis and X-ray crystallography are used to characterise the composition and crystal structure of the compound. Single crystal X-ray analysis reveals that the compound is formed by one CH 3 COCOO − anion and one Na + cation. An obvious feature of the crystal structure is the formation of the five-membered chelate ring by the coordination of O1 of carboxylate and O3 of keto form with Na + cation, and it is good for the stability of the compound in structure. The lattice potential energy and ionic volume of the anion are obtained

1D Cu(II) coordination polymer derived from 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonate chelator and pyrazine spacer

Science.gov (United States)

Mahmudov, Kamran T.; Haukka, Matti; Sutradhar, Manas; Mizar, Archana; Kopylovich, Maximilian N.; Pombeiro, Armando J. L.

2013-02-01

Reaction of 2-(2-(2,4-dioxopentan-3-ylidene)hydrazinyl)benzenesulfonic acid (H2L) with copper(II) nitrate hydrate in the presence of pyrazine (pz) in methanol affords the coordination polymer [Cu2(μ-L)2(H2O)2(μ-pz)]n (1), where the bidentate pz molecule links two Cu(II) centres of two different dimeric units, giving rise to a one-dimensional chain. The dimeric unit [Cu2(μ-L)2(H2O)2] consists of two distorted octahedral Cu(II) centres connected via oxygen atoms of the sulfo group of the bridging L2- ligand. The extensive hydrogen bonding between the coordinated water and pz molecules leads to the formation of a supramolecular 3D associate. Compound 1 has been characterized by elemental analysis, ESI-MS, IR spectroscopy and single-crystal X-ray diffraction analysis.

Tellurium rings as electron pair donors in cluster compounds and coordination polymers; Tellurringe als Elektronenpaardonoren in Clusterverbindungen und Koordinationspolymeren

Energy Technology Data Exchange (ETDEWEB)

Guenther, Anja

2011-11-08

In this dissertation novel and already known molecular tellurium rings are presented in cluster compounds and quasi-one-dimensional coordination polymers. The cyclic, homonuclear units are always stabilized by coordination to electron-rich transition metal atoms, with the coordinating tellurium atoms acting as two-electron donors. As a synthesis route, the solid-state reaction in quartz glass vials was used uniformly. In addition to structural determination, the focus was on the characterization of the resulting compounds. For this purpose, resistance measurements were carried out on selected compounds, the magnetic behavior and the thermal degradation reactions were investigated and accompanying quantum chemical calculations were carried out. [German] In dieser Dissertation werden neuartige sowie bereits bekannte molekulare Tellurringe in Clusterverbindungen und quasi-eindimensionalen Koordinationspolymeren vorgestellt. Die Stabilisierung der zyklischen, homonuklearen Einheiten erfolgt dabei stets durch die Koordination an elektronenreiche Uebergangsmetallatome, wobei die koordinierenden Telluratome gegenueber diesen als Zwei-Elektronendonoren fungieren. Als Syntheseroute wurde dabei einheitlich auf die Festkoerperreaktion in Quarzglasampullen zurueckgegriffen. Neben der Strukturaufklaerung stand die Charakterisierung der erhaltenden Verbindungen im Fokus der Arbeit. Dazu wurden an ausgewaehlten Verbindungen Widerstandsmessungen durchgefuehrt, das magnetische Verhalten sowie die thermischen Abbaureaktionen untersucht und begleitende quantenchemische Rechnungen durchgefuehrt.

Crystal structure of a two-dimensional grid-type iron(II coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(Iiron(II] trans-1,2-bis(pyridin-2-ylethylene disolvate

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Jintana Othong

2014-08-01

Full Text Available In the title compound, {[Ag2Fe(CN4(H2O2]·2C12H10N2}n, the asymmetric unit contains one FeII cation, two water molecules, two dicyanidoargentate(I anions and two uncoordinating 1,2-bis(pyridin-2-ylethylene (2,2′-bpe molecules. Each FeII atom is six-coordinated in a nearly regular octahedral geometry by four N atoms from dicyanidoargentate(I bridges and two coordinating water molecules. The FeII atoms are bridged by dicyanidoargentate(I units to give a two-dimensional layer with square-grid spaces. The intergrid spaces with interlayer distance of 6.550 (2 Å are occupied by 2,2′-bpe guest molecules which form O—H...N hydrogen bonds to the host layers. This leads to an extended three-dimensional supramolecular architecture. The structure of the title compound is compared with some related compounds containing dicyanidoargentate(I ligands and N-donor organic co-ligands.

Anion-Controlled Architecture and Photochromism of Naphthalene Diimide-Based Coordination Polymers

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Jian-Jun Liu

2018-02-01

Full Text Available Three new cadmium coordination polymers, namely [Cd(NO32(DPNDI(CH3OH]·CH3OH (1, [Cd(SCN2(DPNDI] (2, and [Cd(DPNDI2(DMF2]·2ClO4 (3 (DPNDI = N,N-di(4-pyridyl-1,4,5,8-naphthalene diimide, DMF = N,N-dimethylformamide have been synthesized by reactions of DPNDI with Cd(NO32, Cd(SCN2, and Cd(ClO42, respectively. Compound 1 is a one-dimensional coordination polymer with strong lone pair-π interactions between the coordinated NO3− anions and the imide ring of DPNDI; while 2 is a two-dimensional network with a (4, 4 net topology. In the case of 3, due to the presence of uncoordinated perchlorate counter ions, it exhibits a non-interpenetrated square-grid coordination polymer containing one-dimensional rhomboid channels. The structural diversity in these compounds is attributed to different coordination abilities and geometries of counter anions. Due to the presence of electron-deficient NDI moiety, the photochromic behavior of these compounds was studied. Interestingly, only compounds 1 and 3 exhibit color changes under light irradiation. The influence of the anions on the photochromism process of the NDI-based materials has been discussed.

Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

Science.gov (United States)

Dobrova, B N; Dimoglo, A S; Chumakov, Y M

2000-08-01

The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

Thermal behavior studies of the homopolynuclear coordination compound iron(III) polyoxalate

International Nuclear Information System (INIS)

Niculescu, Mircea; Sasca, Viorel; Muntean, Cornelia; Milea, Marius-Silviu; Roşu, Dan

2016-01-01

Graphical abstract: - Highlights: • The thermal decomposition of [Fe(C_2O_4)(OH)(OH_2)]_n·0.3nH_2O leads to Fe_2O_3 polymorphs. • The products were analyzed using the diffuse reflectance technique, XRD, FTIR and SEM. • The product obtained at 350 °C is a mixture of γ-Fe_2O_3 (majority) and α-Fe_2O_3 phases. • Through the calcination at 800 °C the conversion of γ-Fe_2O_3 to α-Fe_2O_3 takes place. • Precursor and conditions are important for obtaining Fe_2O_3 phases as nanoparticles. - Abstract: The thermal decomposition in dynamic oxidative atmosphere of the new homopolynuclear coordination compound [Fe(C_2O_4)(OH)(OH_2)]_n·0.3nH_2O was investigated by simultaneously using TG, DTG and DTA techniques. Solid-state decomposition products formed during heating at different temperatures (350 °C, 800 °C and 1000 °C) were analyzed by physical-chemical methods, including electronic spectroscopy (diffuse reflectance technique), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and scanning electron microscopy (SEM). The XRD analysis data show that the final decomposition product, namely hematite (α-Fe_2O_3), is relatively well crystallized, while SEM images reveal that the particles exhibit irregular forms, their size being widely distributed between 6 nm and 4 μm.

Syntheses, structures and properties of two new coordination polymers based on D-camphoric acid and 2-phenyl-4,6-diamino-1,3,5-triazine

Energy Technology Data Exchange (ETDEWEB)

Lun, Huijie; Yang, Jinghe; Jin, Linyu; Cui, Sasa; Bai, Yanlong [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhang, Xudong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Li, Yamin, E-mail: liyamin@henu.edu.cn [Henan Key Laboratory of Polyoxometalate, Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2015-05-15

By hydrothermal method, two new coordination polymers [Co(ca)(phdat)]{sub n} (1), [Ni(ca)(phdat).0.125H{sub 2}O]{sub n} (2) (H{sub 2}ca=D-camphoric acid, phdat=2-phenyl-4,6-diamino-1,3,5-triazine) have been achieved and structurally characterized by IR, elemental analyses, X-ray single-crystal diffraction and TGA. The X-ray single-crystal diffraction reveals that compounds 1 and 2 are isostructural, both of which exhibit two-dimensional layered network built up from paddle-wheel Co{sub 2}(CO{sub 2}){sub 4}/Ni{sub 2}(CO{sub 2}){sub 4} SBUs by ca{sup 2−} ligand. In the existence of π…π stacking interactions between triazine rings and phenyl rings, the 3D networks are constructed with the hanging phdat filled between the neighboring layers. Furthermore, compounds 1–2 exhibit antiferromagnetic behavior and compound 2 displays a good activity for methanol oxidation. - Graphical abstract: Two new coordination compounds 1–2 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses, magnetic and electrochemical measurement. - Highlights: • This paper reports two new coordination polymers based on D-camphoric acid. • Both the compounds feather two-dimensional layered networks built up from paddle-wheel SBUs. • The magnetism and electrochemical property are investigated.

Investigations in anhydrous liquid ammonia. Reaction of group 2, 4, 5, 11 metal and actinoids compounds

International Nuclear Information System (INIS)

Woidy, Patrick

2014-01-01

The solubility and reactivity of metal halides, transition metal halides, and actinoid halides in liquid ammonia can lead to new starting materials for the synthesis of fluorides in low oxidation states or for nitrides via a ''low-temperature route''. In this context the ability of metal and actinoid halides to act as an acceptor for or donor of fluoride ions is also of interest. Four different systems were investigated in this study. In the first section, the synthesis and characterization of new compounds were carried out in the system CuX/NH 3 (X = F, Cl, Br, I, and CN) and lead to a ligand stabilized monovalent copper fluoride as a main result. In the second section, the solubility of uranyl compounds and uranium halides in liquid ammonia was investigated and the products were characterized. In the third section, alkali metal thorates were synthesized. Their solubility in liquid ammonia and their behavior as an acceptor for fluoride ions was investigated. In the last section, the results on the solubility behavior of transition metal halides in liquid ammonia and their coordination behavior are presented. In the first system CuX/NH 3 several new compounds, such as [Cu(NH 3 ) 3 ]X (X = Br, I or CN) were synthesized and characterized. The reactions of this compounds with fluoride ion donors (NH 4 F or Me 4 NF) led unfortunately not to the monovalent copper fluoride CuF. The comproportionation reaction of Cu and CuF 2 in liquid ammonia lead to the compounds [Cu(NH 3 ) 3 ] 2 [Cu 2 (NH 3 ) 2 ] . 4 NH 3 and [Cu(NH 3 ) 2 ]F . NH 3 . For the preparation of binary CuF, various decomposition experiments were executed on the compound [Cu(NH 3 ) 2 ]F . NH 3 which resulted in different decomposition products. In additional studies various complexes of divalent copper was investigated and with the compound [Cu(NH 3 ) 5 ]F 2 . NH 3 the solubility of fluoride containing substances in liquid ammonia could be shown. Studies of six- and tetravalent uranium

Moessbauer spectroscopy in neptunium compounds

Energy Technology Data Exchange (ETDEWEB)

Nakamoto, Tadahiro; Nakada, Masami; Masaki, Nobuyuki; Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokyo (Japan)

1997-03-01

Moessbauer effects are observable in seven elements of actinides from {sup 232}Th to {sup 247}Cm and Moesbauer spectra have been investigated mainly with {sup 237}Np and {sup 238}U for the reasons of availability and cost of materials. This report describes the fundamental characteristics of Moessbauer spectra of {sup 237}Np and the correlation between the isomer shift and the coordination number of Np(V) compounds. The isomer shifts of Np(V) compounds had a tendency to increase as an increase of coordination number and the isomer shifts of Np(V) compounds showed broad distribution as well as those of Np(VI) but {delta} values of the compounds with the same coordination number were distributed in a narrow range. The {delta} values of Np(VI) complexes with O{sub x} donor set suggest that the Np atom in its hydroxide (NpO{sub 2}(OH){center_dot}4H{sub 2}O)might have pentagonal bipyramidal structure and at least, pentagonal and hexagonal bipyramidal structures might coexist in its acetate and benzoate. Really, such coexistence has been demonstrated in its nitrate, (NpO{sub 2}){sub 2}(NO{sub 3}){sub 2}{center_dot}5H{sub 2}O. (M.N.)

Ionothermal Synthesis of a Novel 3D Cobalt Coordination Polymer with a Uniquely Reported Framework: [BMI]2[Co2(BTC2(H2O2

Directory of Open Access Journals (Sweden)

Il-Ju Ko

2017-01-01

Full Text Available The framework of [RMI]2[Co2(BTC2(H2O2] (RMI = 1-alkyl-3-methylimidazolium, alkyl; ethyl (EMI; propyl (PMI; butyl (BMI, which has uniquely occurred in ionothermal reactions of metal salts and H3BTC (1,3,5-benzenetricarboxylic acid, an organic ligand, reappeared in this work. Ionothermal reaction of cobalt acetate and H3BTC with [BMI]Br ionic liquid as the reaction medium yielded the novel coordination polymer [BMI]2[Co2(BTC2(H2O2] (compound B2. Similar ionothermal reactions with different [EMI]Br and [PMI]Br as the reaction media have been previously reported to produce [EMI]2[Co3(BTC2(OAc2] (compound A1 and [PMI]2[Co2(BTC2(H2O2] (compound B1, respectively. In contrast with the trinuclear secondary building unit of A1, the framework structure of B1 and B2 consists of dinuclear secondary building units in common, but with subtle distinction posed by the different size of the incorporated cations. These structural differences amidst the frameworks showed interesting aspects, including guest and void volume, and were used to explain the chemical trend observed in the system. Moreover, the physicochemical properties of the newly synthesized compound have been briefly discussed.

COORDINATION COMPOUNDS OF NICKEL(II), COPPER(II) AND COBALT(II) BASED ON S-METHYLISOTHIOSEMICARBAZIDE AS DYES FOR THERMOPLASTIC POLYMERS

OpenAIRE

Ştefan Manole; Maria Cocu

2011-01-01

We have researched the color properties of coordination compounds synthesized by us previously [1] (8-(1',2'-naphthyl)-1- R3-methyl-6-thiomethyl-4,5,7-triazaocta-1,3,5,7-tetraenato-1,1'-diolato(-)O, O', N4, N7-M(II), where R=CH3, C6H5, M=Ni, Co, Cu), which can be used for coloring thermoplastic masses. They meet the requirements for use as a pigment for coloring thermoplastic masses.

A correlation between isomer shifts of 237Np Moessbauer spectra and coordination numbers of Np atoms in neptunyl(V) compounds

International Nuclear Information System (INIS)

Saeki, M.; Nakada, M.; Nakamoto, T.; Yamashita, T.; Masaki, N.M.; Krot, N.N.

1999-01-01

Five neptunyl(V) compounds were synthesized and studied by 237 Np Moessbauer spectroscopy. The isomer shifts (δ) of the Moessbauer spectra ranged from -18.6 to -19.1 mm/s for the compounds with Np atoms surrounded by 7 oxygen atoms (coordination number (CN) 7). On the other hand, the larger value of δ was obtained for the compound with CN 8. From the comparison of the present results with those reported on neptunyl(V) and (VI) compounds, it is concluded that there is a correlation between the δ and the CN for neptunyl(V) compounds, and the distribution of δ is narrower for neptunyl(V) compounds than that of neptunyl(VI) compounds. (author)

Antiferromagnetic Coupling in the Polynuclear Compound [Cu(II) (Allopurinolate) (OH-)] n

Science.gov (United States)

Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero-Derat, Roberto

1994-11-01

Synthetic, spectral, and magnetic studies of the Cu(II) polynuclear coordination compound [Cu(HL(OH-)]n with bridging OH- and HL (allopurinolate; C5H3N4O-) ligands are reported. The compound is obtained from aqueous media (at several pH values and from CI-, Br-, NO-3, SO2-4, ClO-4, and CH3CO-2 Cu(II) salts), from DMSO at ca. 70°C using several of the above salts, and under refluxing methanol employing Cu(SO4) or Cu(CH3CO2)2. The results suggest that the compound [Cu(HL)(OH-)]n has a polynuclear form in which the bridging allopurinolate is coordinated through the N(1) and N(2) atoms of the pyrazolic moiety. All attempts to grow crystals suitable for X-ray studies were unsuccessful, and an amorphous compound was always obtained. Magnetic studies show the existence of a strong antiferromagnetic coupling, which may be associated with a favorable structural arrangement between the metallic centers and the bridging ligands. This magnetic behavior is remarkable for a Cu(II) polynuclear coordination compound. Spectral and magnetic results together with the coordination modes of the bridging groups let us postulate as a possible arrangement a cyclic polynuclear structure presenting the allopurinolate and OH- bridging ligands in a mutually trans configuration. This work is the first EPR spectral and magnetic study reported for a coordination compound with the allopurinol heterocycle as a ligand and, thus for the first example of a polynuclear coordination compound combining allopurinolate and OH- as bridging groups.

Photoactive devices including porphyrinoids with coordinating additives

Science.gov (United States)

Forrest, Stephen R; Zimmerman, Jeramy; Yu, Eric K; Thompson, Mark E; Trinh, Cong; Whited, Matthew; Diev, Vlacheslav

2015-05-12

Coordinating additives are included in porphyrinoid-based materials to promote intermolecular organization and improve one or more photoelectric characteristics of the materials. The coordinating additives are selected from fullerene compounds and organic compounds having free electron pairs. Combinations of different coordinating additives can be used to tailor the characteristic properties of such porphyrinoid-based materials, including porphyrin oligomers. Bidentate ligands are one type of coordinating additive that can form coordination bonds with a central metal ion of two different porphyrinoid compounds to promote porphyrinoid alignment and/or pi-stacking. The coordinating additives can shift the absorption spectrum of a photoactive material toward higher wavelengths, increase the external quantum efficiency of the material, or both.

Diels-Alder reactions of inert aromatic compounds within a self-assembled coordination cage.

Science.gov (United States)

Horiuchi, Shinnosuke; Murase, Takashi; Fujita, Makoto

2011-07-04

A self-assembled coordination cage serves as a nanometer-sized molecular flask to promote the Diels-Alder reactions of aromatic hydrocarbons with N-cyclohexylmaleimide. The coordination cage accelerated the Diels-Alder reaction of anthracene at the electronically unfavorable, terminal benzene ring to give a compact, cavity-restrained syn-adduct. Activation-parameter measurements for the reactions revealed considerable reduction in the entropy cost, and preorganization of the substrates is a dominant factor in the enhanced reactivity. Owing to this entropy-cost reduction, otherwise-unreactive aromatic compounds, such as naphthalenes or triphenylene, also underwent Diels-Alder reactions in a regio- and stereocontrolled fashion. In the naphthalene Diels-Alder reaction, X-ray crystallographic analysis of the guest-inclusion complex clarified the reinforced orientation and proximity of the substrate pairs before the reaction. A perylene Diels-Alder adduct was stabilized inside the cage and protected from aerial oxidation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

COORDINATION COMPOUNDS OF NICKEL(II, COPPER(II AND COBALT(II BASED ON S-METHYLISOTHIOSEMICARBAZIDE AS DYES FOR THERMOPLASTIC POLYMERS

Directory of Open Access Journals (Sweden)

Ştefan Manole

2011-12-01

Full Text Available We have researched the color properties of coordination compounds synthesized by us previously [1] (8-(1',2'-naphthyl-1- R3-methyl-6-thiomethyl-4,5,7-triazaocta-1,3,5,7-tetraenato-1,1'-diolato(-O, O', N4, N7-M(II, where R=CH3, C6H5, M=Ni, Co, Cu, which can be used for coloring thermoplastic masses. They meet the requirements for use as a pigment for coloring thermoplastic masses.

Alkaline earth-based coordination polymers derived from a cyclotriphosphazene-functionalized hexacarboxylate

International Nuclear Information System (INIS)

Ling, Yajing; Bai, Dongjie; Feng, Yunlong; He, Yabing

2016-01-01

Combination of hexakis(4-carboxylatephenoxy)cyclotriphosphazene with alkaline earth ions of increasing ionic radii (Mg 2+ , Ca 2+ and Ba 2+ ) under different solvothermal conditions yielded three new coordination polymers, and their crystal structures were determined by single-crystal X-ray diffraction analysis. The magnesium compound displays a three dimensional (3D) network structure constructed from the deprotonated ligand and the secondary building block Mg(COO) 4 , which can be rationalized as a (4,6)-connected topological net with the Schläfli symbol of (4 4 ·6 2 ) 3 (4 9 ·6 6 ) 2 . The calcium compound consists of 1D infinite “Ca-O” inorganic chains connected by the deprotonated ligands to from a 3D framework. The barium compound exhibits a 3D framework in which 1D “Ba-O” inorganic chains are connected together by the deprotonated organic linkers. Due to the semi-rigid nature, the ligand adopts distinctly different conformations in the three compounds. The metal ions’ influence exerted on the final structure of the resulting coordination polymers is also discussed. When the radii of alkaline earth ions increases descending down the group from Mg(II) to Ba(II), the coordination number becomes larger and more versatile: from 6 in the magnesium compound, to 6,7 and 10 in the calcium compound, and to 8 and 9 in the barium compound, thus substantially influencing the resulting final framework structures. Also, the photophysical properties were investigated systematically, revealing that the three compounds are photoluminscent in the solid state at room temperature. This work demonstrates that although the multiplicity of conformation in the hexacarboxylate ligand based on the inorganic scaffold cyclotriphosphazene makes it difficult to predict how this ligand will form extended network, but provides unique opportunities for the formation of diverse inorganic-organic hybrids exhibiting rich structural topologies. - Graphical abstract: Three alkaline

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

International Nuclear Information System (INIS)

Wang, Chao; Zhao, Jun; Xia, Liang; Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan

2016-01-01

Three new coordination polymers, namely, {[Ni(H 2 L)(bix)(H 2 O) 2 ]·2h 2 O} n (1), {[Ni(HL)(Hdpa)(H 2 O) 2 ]·H 2 O} n (2), {[Ni(L) 0.5 (bpp)(H 2 O)]·H 2 O} n (3) (H 4 L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H 4 L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6 6 -dia-type framework with H 4 L ligand adopts a μ 2 -bridging mode with two symmetry-related carboxylate groups in μ 1 -η 1 :η 0 monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, in which the H 4 L ligand adopts a μ 2 -bridging mode with two carboxylate groups in μ 1 -η 1 :η 1 and μ 1 -η 1 :η 0 monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H 4 L ligand displays a μ 4 -bridging coordination mode. The H 4 L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6 6 -dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)] n ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled” strategy is significant potential for network design.

Mode transition coordinated control for a compound power-split hybrid car

Science.gov (United States)

Wang, Chen; Zhao, Zhiguo; Zhang, Tong; Li, Mengna

2017-03-01

With a compound power-split transmission directly connected to the engine in hybrid cars, dramatic fluctuations in engine output torque result in noticeable jerks when the car is in mode transition from electric drive mode to hybrid drive mode. This study designed a mode transition coordinated control strategy, and verified that strategy's effectiveness with both simulations and experiments. Firstly, the mode transition process was analyzed, and ride comfort issues during the mode transition process were demonstrated. Secondly, engine ripple torque was modeled using the measured cylinder pumping pressure when the engine was not in operation. The complete dynamic plant model of the power-split hybrid car was deduced, and its effectiveness was validated by a comparison of experimental and simulation results. Thirdly, a coordinated control strategy was designed to determine the desired engine torque, motor torque, and the moment of fuel injection. Active damping control with two degrees of freedom, based on reference output shaft speed estimation, was designed to mitigate driveline speed oscillations. Carrier torque estimation based on transmission kinematics and dynamics was used to suppress torque disturbance during engine cranking. The simulation and experimental results indicate that the proposed strategy effectively suppressed vehicle jerks and improved ride comfort during mode transition.

Two Zn coordination polymers with meso-helical chains based on mononuclear or dinuclear cluster units

Energy Technology Data Exchange (ETDEWEB)

Qin, Ling, E-mail: qinling@hfut.edu.cn [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China); Jiangsu Engineering Technology Research Center of Environmental Cleaning Materials (CEM), School of Environmental Sciences and Engineering, Nanjing University of Information Science and Technology (China); State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Qiao, Wen-Cheng; Zuo, Wei-Juan; Zeng, Si-Ying; Mei, Cao; Liu, Chang-Jiang [Department of Chemical Engineering and Food Processing, Xuancheng Campus, Hefei University of Technology, Xuancheng 242000, Anhui (China)

2016-07-15

Two zinc coordination polymers {[Zn_2(TPPBDA)(oba)_2]·DMF·1.5H_2O}{sub n} (1), {[Zn(TPPBDA)_1_/_2(tpdc)]·DMF}{sub n} (2) have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. These complexes were characterized by elemental analyses and X-ray single-crystal diffraction analyses. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. These mononuclear or dinuclear cluster units are linked by mix-ligands, resulting in various degrees of interpenetration. In addition, the photoluminescent properties for TPPBDA ligand under different state and coordination polymers have been investigated in detail. - Graphical abstract: Two zinc coordination polymers have been synthesized by zinc metal salt, nanosized tetradentate pyridine ligand with flexible or rigid V-shaped carboxylate co-ligands. Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. Compound 2 can be defined as a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. In addition, the photoluminescent properties for TPPBDA ligand under different status and coordination polymers have been investigated in detail. Display Omitted - Highlights: • Two Zn coordination polymers based on mononuclear or dinuclear cluster units have been synthesized. • Compound 1 is a 2-fold interpenetrated 3D framework with [Zn{sub 2}(CO{sub 2}){sub 4}] clusters. • Compound 2 is a five folded interpenetrating bbf topology with mononuclear Zn{sup 2+}. • The photoluminescent properties for TPPBDA with different state and two coordination polymers have been investigated.

Unique edge-sharing sulfate-transition metal coordination in Na2M(SO4)2 (M=Ni and Co)

International Nuclear Information System (INIS)

Fry, Allyson M.; Sweeney, Owen T.; Adam Phelan, W.; Drichko, Natalia; Siegler, Maxime A.; McQueen, Tyrel M.

2015-01-01

Two compounds, Na 2 Ni(SO 4 ) 2 and Na 2 Co(SO 4 ) 2 , were synthesized and their structure and properties were characterized. They adopt a structure that contains a bidentate coordination of sulfate to the transition metal center, which was determined via single crystal X-ray diffraction combined with model refinements to both laboratory X-ray and time-of-flight neutron powder diffraction data. The compounds were both found to crystallize in the C2/c space group with Z=24 and a unit cell of a=23.3461(3) Å, b=10.3004(1) Å, c=17.4115(2) Å, β=98.8659(9)°, and V=4136.99(8) Å 3 for the cobalt analog and a=23.2253(1) Å, b=10.26155(6) Å, c=17.3353(1) Å, β=99.0376(5)°, and V=4080.20(5) Å 3 for the nickel analog. Magnetization measurements show that the transition metal centers have negligible interactions with neighboring sites. Infrared and Raman spectroscopies were used to further probe the unique sulfate-transition metal coordination, and confirm the bidentate binding motif. The resulting pseudo-trigonal bipyramidal coordination produces vivid violet, Na 2 Co(SO 4 ) 2 , and yellow, Na 2 Ni(SO 4 ) 2 , colors that were probed by diffuse reflectance. - Graphical abstract: Two blue distorted transition metal octahedra (oxygen in red) bridged by two sulfate tetrahedra are shown here. Each bridging sulfate tetrahedra shares an edge with one octahedron and a corner with the other. All of the remaining corners of the octahedra are corner sharing with four tetrahedra forming a polyhedral network. - Highlights: • Structure of Na2Ni(SO4)2 and Na2Co(SO4)2 is determined. • Unique sulfate-transition metal binding observed in the new structure. • Combined diffraction and spectroscopic techniques were used. • Magnetization measurements show negligible interactions between sites

Two new coordination polymers constructed by naphthalene-1,4-dicarboxylic acid and 2,4-diamino-6-methyl-triazine

Energy Technology Data Exchange (ETDEWEB)

Li, Yamin, E-mail: liyamin@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Xiao, Changyu [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); Zhang, Xudong [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Xu, Yanhui [Department of Medical Imaging, Bethune Medical Non-Commissioned Officer' s, College, Shijiazhuang, Hebei 050081 (China); Li, Junrui; Lun, Huijie; Chen, Qi [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2013-08-15

Two new transition metal coordination complexes, ([MnO(nda)](H{sub 2}dmt)(H{sub 2}O)){sub n} (1), [Ag{sub 5}(nda){sub 2.5}(dmt)]{sub n} (2), (H{sub 2}nda=naphthalene-1,4-dicarboxylic acid, dmt=2,4-diamine-6-methyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of H{sub 2}nda and dmt with the homologous MnCl{sub 2}·4H{sub 2}O and AgNO{sub 3}, respectively, and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis, thermogravimetric analysis (TGA). The compound 1 exhibits a 3D network comprising 1D metal chain (MnO(CO{sub 2}){sub 2}){sub n} connected by the ligand nda{sup 2−}, featuring a four-connected uninodal diamond -like topology. In compound 2, it is firstly observed that decanuclear silver units as secondary building units to construct 3D network by the ligands dmt and nda{sup 2−}, with a rare 2-nodal (3,8)-connected tfz-d topology ((4{sup 3}){sub 2}(4{sup 6}.6{sup 18}.8{sup 4})). The interactions within each Mn(II)—Mn(II) pair of compound 1 are antiferromagnetic (g=2.07, J=−1.42(1) cm{sup −1}, zj′=−0.73(2) cm{sup −1}). In addition, compound 2 exhibits photoluminescent property at about 472 nm (λ{sub ex}=394 nm). - Graphical abstract: Two new transition metal coordination complexes 1–2 have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, IR spectra, elemental analysis thermogravimetric analysis (TGA). Highlights: • The compound 1 exhibits a 3D network with four-connected uninodal diamond-like topology. • The first 3D network of 2 with a rare tfz-d topology consists of decanuclear silver clusters as secondary building units. • The magnetic measurement indicates the compound 1 shows antiferromagnetic interactions. • The photoluminescent property of 2 has been measured.

Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene]-dichloro-Zn(II Coordination Polymers

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Hsin-Ta Wang

2006-08-01

Full Text Available Two novel coordination polymers with 3D metal-organic frameworks (MOFs have been synthesized by reacting 1,4-bis(3-pyridyl-2,3-diazo-1,3-butadiene (L with zinc dichloride. Both compounds have the same repeating unit consisting of a distorted tetrahedral Zn(II center coordinated by two chlorides and two pyridyl nitrogen atoms of two bridging bismonodentate L ligands, however, different structural conformations have been found, one forming a helical chain and the other producing a square-wave chain. The intermolecular C−H···Cl hydrogen bonds in 1 and 2 play important roles in the formation of three-dimensional coordination polymers. Compound 1 crystallized in an orthorhombic space group Pna21 with a = 7.9652(3, b = 21.4716(7, c = 8.2491(3Å, V = 1410.81(9 Å 3 and Z = 4. Compound 2 crystallized in a monoclinic space group P21/n with a = 9.1752(3, b = 14.5976(4, c = 10.3666(3 Å , β = 98.231(2°, V = 1374.16(7 Å 3 and Z = 4.

Utilization of mixed ligands to construct diverse Ni(II)-coordination polymers based on terphenyl-2,2′,4,4′-tetracarboxylic acid and varied N-donor co-ligands

Energy Technology Data Exchange (ETDEWEB)

Wang, Chao [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); Zhao, Jun, E-mail: junzhao08@126.com [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Xia, Liang [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 35002 (China); Wu, Xue-Qian; Wang, Jian-Fang; Dong, Wen-Wen; Wu, Ya-Pan [College of Materials and Chemical Engineering, Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials, Hubei Provincial Collaborative Innovation Center for New Energy Microgrid, China Three Gorges University, Yichang 443002 (China)

2016-06-15

Three new coordination polymers, namely, {[Ni(H_2L)(bix)(H_2O)_2]·2h_2O}{sub n} (1), {[Ni(HL)(Hdpa)(H_2O)_2]·H_2O}{sub n} (2), {[Ni(L)_0_._5(bpp)(H_2O)]·H_2O}{sub n} (3) (H{sub 4}L=terphenyl-2,2′,4,4′-tetracarboxylic acid; bix=1,4-bis(imidazol-1-ylmethyl)benzene; dpa =4,4′-dipyridylamine; bpp=1,3-bis(4-pyridyl)propane), based on rigid H{sub 4}L ligand and different N-donor co-ligands, have been synthesized under hydrothermal conditions. Compound 1 features a 3D 4-connected 6{sup 6}-dia-type framework with H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two symmetry-related carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 0} monodentate mode. Compound 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, in which the H{sub 4}L ligand adopts a μ{sub 2}-bridging mode with two carboxylate groups in μ{sub 1}-η{sup 1}:η{sup 1} and μ{sub 1}-η{sup 1}:η{sup 0} monodentate modes, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology, with H{sub 4}L ligand displays a μ{sub 4}-bridging coordination mode. The H{sub 4}L ligand displays not only different deprotonated forms but also diverse coordination modes and conformations. The structural diversities among 1–3 have been carefully discussed, and the roles of N-donor co-ligands in the self-assembly of coordination polymers have been well documented. - Graphical abstract: Three nickel coordination polymers with different architectures based on mixed ligand system were synthesized and structurally characterized. Topology analyses indicate that 1 shows the 4-connected 6{sup 6}-dia net, 1D ribbon chains for 2 and 3D (4,4)-connected bbf network for 3. Display Omitted - Highlights: • Three Ni-based coordination polymers with distinct features have been prepared. • Compound 1 features a 3D 4-connected 66-dia-type framework, 2 displays a 1D [Ni(HL)(Hdpa)]{sub n} ribbon chains motif, while 3 possesses a (4,4)-connected 3D frameworks with bbf topology. • The “mixed ligand assembled�

Synthesis and Characterization of Novel Copper(II 2D Coordination Polymers from a Fluorinated Flexible Ligand with Remarkable Clathration Ability

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Kayoko Kasai

2011-11-01

Full Text Available Two-dimensional (2D grid coordination polymers were prepared by the reaction of 1,4-bis(4-pyridylmethyltetrafluorobenzene (bpf with Cu(NO32 in the presence of aromatic compounds. Crystal structures of {[Cu(bpf2(NO32]·(biphenyl2}n (1, {[Cu(bpf2(NO32]·(m-C6H4(OMe22}n (2, {[Cu(bpf2(NO32]·PhtBu}n (3 and {[Cu(bpf2(NO3(H2O]NO3·(bpf0.5}n (4 were determined. The grid networks were held together by C–H···O and C–H···F hydrogen bonds via the NO3− anions and the tetrafluorophenylene rings of bpf, respectively. Biphenyl, m-dimethoxybenzene, t-butylbenzene, and bpf molecules were clathrated in cyclic cavities of the grid networks through arene-perfluoroarene interactions. These coordination networks have remarkable clathration ability for aromatic compounds.

Concurrent coordination of ligand in metal chloride complexes with 1-vinyl-2-(2-pyridyl)benzimidazole

International Nuclear Information System (INIS)

Bajkalov, L.V.; Domnina, E.S.

1996-01-01

The properties and structure of bivalent cadmium and 1-vinyl-2-(2-pyridyl)benzimidazole chloride complexes, which have been prepared for the first time, have been studied by the methods of potentiometric titration and PMR, 35 Cl NQR, UV and IR spectroscopy. For the complexes above di- and polymeric structures in crystal phase are suggested, where ligand plays the role of a bridge. N,N-bidentate ligand. In solution the complexes dissociate with formation of monomeric coordination compounds, their metal being bound by different ways, stemming from participation of N benzimidazole or pyridine fragment of the ligand. Adducts of ionic type with second sphere 1-vinyl-2-(2-pyridyl)benzimidazole cation have been obtained in the course of hydrochlorination of the complexes prepared

Kinetic control of intralayer cobalt coordination in layered hydroxides: Co(1-0.5x)(oct) Co(x)(tet) (OH)2 (Cl)x (H2O)n.

Science.gov (United States)

Neilson, James R; Schwenzer, Birgit; Seshadri, Ram; Morse, Daniel E

2009-12-07

We report the synthesis and characterization of new structural variants of the isotypic compound with the generic chemical formula, Co(1-0.5x)(oct) Co(x)(tet) (OH)2 (Cl)x (H2O)n, all modifications of an alpha-Co(OH)2 lattice. We show that the occupancy of tetrahedrally coordinated cobalt sites and associated chloride ligands, x, is modulated by the rate of formation of the respective layered hydroxide salts from kinetically controlled aqueous hydrolysis at an air-water interface. This new level of structural control is uniquely enabled by the slow diffusion of a hydrolytic catalyst, a simple technique. Independent structural characterizations of the compounds separately describe various attributes of the materials on different length scales, revealing details hidden by the disordered average structures. The precise control over the population of distinct octahedrally and tetrahedrally coordinated cobalt ions in the lattice provides a gentle, generic method for modulating the coordination geometry of cobalt in the material without disturbing the lattice or using additional reagents. A mechanism is proposed to reconcile the observation of the kinetic control of the structure with competing interactions during the initial stages of hydrolysis and condensation.

Synthesis, coordination and biological aspects of organotin(IV derivatives of 4-[(2,4-dinitrophenylamino]-4-oxo-2-butenoic acid and 2-{[(2,4-dinitrophenylamino]carbonyl}benzoic acid

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KHADIJA SHAHID

2009-02-01

Full Text Available New series of organotin(IV complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, Ph, n-Oct] have been synthesized by the reaction of HL1 and HL2 with respective organotin halides or oxides. Experimental details for the preparation and characterization (including elemental analysis, IR and multinuclear NMR (1H-, 13C- and 119Sn- spectra in CDCl3 and EI mass spectra of both series are provided. The binding sites of the ligands were identified by means of FTIR spectroscopic measurements. It was found that in all cases the organotin(IV moiety reacts with the oxygen of COO– group to form new complexes. In the diorganotin complexes, the COO– group is coordinated to the organotin(IV centres in a bidentate manner in the solid state. The 119Sn NMR data and the nJ(13C‑119/117Sn coupling constant support the tetrahedral coordination geometry of the organotin complexes in non-coordinating solvents. Biological activities (antibacterial, antifungal, cytotoxicity, antileishmanial and insecticidal of these compounds are also reported.

Molecular modeling of inorganic compounds

National Research Council Canada - National Science Library

Comba, Peter; Hambley, Trevor W; Martin, Bodo

2009-01-01

... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

Crystal Structure and Magnetic Behavior of Two New Dinuclear Carbonato-Bridged Copper(II) Compounds. Superexchange Pathway for the Different Coordination Modes of the Carbonato Bridge in Polynuclear Copper(II) Compounds.

Science.gov (United States)

Escuer, Albert; Mautner, Franz A.; Peñalba, Evaristo; Vicente, Ramon

1998-08-24

Four new &mgr;-CO(3)(2-) copper(II) complexes with different coordination modes for the carbonato bridge have been obtained by fixation of atmospheric CO(2): {(&mgr;(3)-CO(3))[Cu(3)(ClO(4))(3)(Et(3)dien)(3)]}(ClO(4)) (1), Et(3)dien = N,N',N"-triethylbis(2-aminoethane)amine; {(&mgr;-CO(3))[Cu(2)(H(2)O)(Et(4)dien)(2)]}(ClO(4))(2).H(2)O (2), Et(4)dien = N,N,N",N"-tetraethyl-bis(2-aminoethane)amine; {(&mgr;-CO(3))[Cu(2)(H(2)O)(2)(EtMe(4)dien)(2)]} (ClO(4))(2).2H(2)O (3), EtMe(4)dien = N'-ethyl-N,N,N",N"-tetramethylbis(2-aminoethane)amine; and {(&mgr;-CO(3))[Cu(2)(H(2)O)(Me(5)dien)(2)]}(ClO(4))(2).H(2)O (4), Me(5)dien = N,N,N',N",N"-pentamethylbis(2-aminoethane)amine. The crystal structures have been solved for 2, monoclinic system, space group P2(1)/n, formula [C(25)H(62)Cl(2)Cu(2)N(6)O(13)] with a = 12.763(6) Å, b = 25.125(8) Å, c = 13.261(4) Å, beta = 111.85(3) degrees, Z = 4, and for 3, triclinic system, space group P&onemacr;, formula [C(21)H(58)Cl(2)Cu(2)N(6)O(15)] with a = 8.412(3) Å, b = 14.667(4) Å, c = 16.555(5) Å, alpha = 99.66(2) degrees, beta = 102.14(2) degrees, gamma = 104.72(2) degrees, Z = 2. Susceptibility measurements show ferromagnetic behavior (J = +6.7(6) cm(-)(1)) for the trinuclear compound 1 whereas 2-4 are antiferromagnetically coupled with J = -17.8(8), -125.5(9), and -21.2(3) cm(-)(1) respectively. Certain synthetic aspects that may be related to the nuclearity of the copper(II) &mgr;-CO(3)(2-) compounds and the superexchange pathway for the different coordination modes of the carbonato bridge are discussed.

Conformational differences in dioxouraniun(VI) coordination compounds. Crystal structure of the chloroform adduct of n,n'-bis-salicylidene-1,5-diamino-3-oxapentane-dioxouranium(VI)

Energy Technology Data Exchange (ETDEWEB)

Bombieri, G; Forsellini, E; Benetollo, F [Consiglio Nazionale delle Ricerche, Padua (Italy). Lab. di Chimica e Tecnologia dei Radioelementi; Fenton, D E

1979-01-01

The title compound (UO/sub 2/-saloden-CHCl/sub 3/) crystallizes in an orthorhombic system. Lattice parameters are given. The coordination geometry of the uranium atom is bipyramidal pentagonal with the ligand pentadentate in the equatorial plane of the uranyl ion. The chloroform molecule does not interact directly with the ligand. The IR spectral data are also discussed.

Vibrational circular dichroism spectroscopy of a spin-triplet bis-(biuretato) cobaltate(III) coordination compound with low-lying electronic transitions

DEFF Research Database (Denmark)

Johannessen, Christian; Thulstrup, Peter W.

2007-01-01

. The spectroscopic results were compared to measurements performed on the free ligand and to theoretical calculations using density functional theory (B3LYP/TZVP). The results of the VCD analysis of the coordination compound identified an electronic, dipole-forbidden, magnetic dipole-allowed low-lying d-d transition...

Structure and microstructure of the high pressure synthesised misfit layer compound [Sr2O2][CrO2]1.85

International Nuclear Information System (INIS)

Castillo-Martinez, E.; Schoenleber, A.; Smaalen, S. van; Arevalo-Lopez, A.M.; Alario-Franco, M.A.

2008-01-01

The strontium chromium oxide [Sr 2 O 2 ][CrO 2 ] 1.85 misfit layer compound has been synthesised at high-pressure and high-temperature conditions. Electron diffraction patterns and high-resolution transmission electron microscopy images along [001] show the misfit character of the different layers composing the structure with a supercell along the incommensurate parameter b∼7b 1 ∼13b 2 . The modulated crystal structure has been refined within the superspace formalism against single-crystal X-ray diffraction data, employing the (3+1)-dimensional superspace group C'nmb(0σ 2 0)0 0 s. The compound has a composite structure with lattice parameters a 1 =5.182(1) A, b 1 =5.411(1) A, c 1 =18.194(3) A for the first, SrO, subsystem and the same a and c, but with b 2 =2.925(1) A for the second, CrO 2 , subsystem. The layer stacking is similar to that of orthorhombic PbS(TiS 2 ) 1.18 , but with a much stronger intersubsytem bonding in the case of the oxide. The intersubsystem lattice mismatch is mainly handled by displacement modulations of the Sr atoms, correlated with modulations of the valence, the coordination and the anisotropic displacement parameters. - Graphical abstract: A strontium chromium oxide, [Sr 2 O 2 ][CrO 2 ] 1.85 , with an orthorhombic misfit layer structure has been synthesised under high pressure. Mainly modulations on the Sr position, ADPs and coordination save the subsystems lattice mismatch

EPR-study of reversible oxygenation process of coordination compounds of cobalt(II) with S-substituted N1,N4-di(salicylidene)-isothiosemicarbazides

International Nuclear Information System (INIS)

Gerbeleu, N.V.; Revenko, M.D.; Rusu, V.G.; Shames, A.T.

1987-01-01

The reaction between molecular oxygen and coordination compounds of cobalt(II) with S-substituted N 1 ,N 4 -di(salicylidene)isothiosemicarbazides in dimethyl sulfoxide solution was studied by the EPR method. It was found that paramagnetic monomeric adducts and diamagnetic μ-peroxo-dimers are formed. The spin-Hamiltonian parameters of the EPR spectra of the initial cobalt complexes, as well as of the paramagnetic adducts were determined. The nature of the Co-O 2 bond is discussed

Crystal structures of thiosemicarbazide diacetic acid and coordination compounds on its basis

International Nuclear Information System (INIS)

Burshtejn, I.F.; Petukhov, L.I.; Gehrbehlehu, N.V.; Volodina, G.F.; Bologa, O.A.

1985-01-01

Results of X-ray structure investigation of thiosemicarbazide diacetic acid (H 2 tscda) and its complex derivatives of the composition Mtscda (M=Cd, Co, Cu) have been reviewed. Structure characteristics of Cdtscdax4H 2 O are as follows: a=14.513, b=8.648, c=9.871 A, γ=98.46 deg, sp.gr. P2 1 /a, z=4. Cadmium complex structure represents a centrosymmetrical dimer with bridge oxygen atom of carboxylic group. Cd-Cd distance is 3.815 A. Cd atom has coordination number 7. Coordination Cd-polyhedron in the structure has configuration of trigonal one-cap prism

Coordination Nature of 4-Mercaptoaniline to Sn(II Ion: Formation of a One Dimensional Coordination Polymer and Its Decomposition to a Mono Nuclear Sn(IV Complex

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Eon S. Burkett

2014-12-01

Full Text Available The coordination of the bifunctional ligand 4-mercaptoaniline with aqueo us tin(II metal ion was studied. A coordination polymer was synthesized when an aqueous solution of SnCl2 was treated with 4-MA. The crystalline material is stable under atmospheric conditions retaining its oxidation state. However, when submerged in a solution saturated with oxygen, the compound oxidizes to a mononuclear tin(IV complex. Both the compounds were characterized by single crystal X-ray diffraction studies. Although the structure of the tin(IV complex was previously reported, crystal structure of this compound was redetermined.

Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents

Energy Technology Data Exchange (ETDEWEB)

D Banerjee; J Finkelstein; A Smirnov; P Forster; L Borkowski; S Teat; J Parise

2011-12-31

Three magnesium based metal-organic frameworks, Mg{sub 3}(3,5-PDC){sub 3}(DMF){sub 3} {center_dot} DMF [1], Mg(3,5-PDC)(H{sub 2}O) {center_dot} (H{sub 2}O) [3], and Mg{sub 4}(3,5-PDC){sub 4}(DMF){sub 2}(H{sub 2}O){sub 2} {center_dot} 2DMF {center_dot} 4.5H{sub 2}O [4], and a 2-D coordination polymer, [Mg(3,5-PDC)(H{sub 2}O){sub 2}] [2] [PDC = pyridinedicarboxylate], were synthesized using a combination of DMF, methanol, ethanol, and water. Compound 1 [space group P2{sub 1}/n, a = 12.3475(5) {angstrom}, b = 11.1929(5) {angstrom}, c = 28.6734(12) {angstrom}, {beta} = 98.8160(10){sup o}, V = 3916.0(3) {angstrom}{sup 3}] consists of a combination of isolated and corner-sharing magnesium octahedra connected by the organic linkers to form a 3-D network with a 12.2 {angstrom} x 4.6 {angstrom} 1-D channel. The channel contains coordinated and free DMF molecules. In compound 2 [space group C2/c, a = 9.964(5) {angstrom}, b = 12.0694(6) {angstrom}, c = 7.2763(4) {angstrom}, {beta} = 106.4970(6){sup o}, V = 836.70(6) {angstrom}{sup 3}], PDC connects isolated seven coordinated magnesium polyhedra into a layered structure. Compound 3 [space group P6{sub 1}22, a = 11.479(1) {angstrom}, c = 14.735(3) {angstrom}, V = 1681.7(4) {angstrom}{sup 3}] (previously reported) contains isolated magnesium octahedra connected by the organic linker with each other forming a 3D network. Compound 4 [space group P2{sub 1}/c, a = 13.7442(14) {angstrom}, b = 14.2887(15) {angstrom}, c = 14.1178(14) {angstrom}, {beta} = 104.912(2){sup o}, V = 2679.2(5) {angstrom}{sup 3}] also exhibits a 3D network based on isolated magnesium octahedra with square cavities containing both disordered DMF and water molecules. The structural topologies originate due to the variable coordination ability of solvent molecules with the metal center. Water molecules coordinate with the magnesium metal centers preferably over other polar solvents (DMF, methanol, ethanol) used to synthesize the coordination networks. Despite

Coordination compounds of titanium, zirconium, tin, thorium and uranium

International Nuclear Information System (INIS)

Deshpande, S.G.; Jain, S.C.

1990-01-01

Reactions of isatin, furoic acid and picolinic acid have been carried out with titanium tetrachloride, tin tetrachloride, thorium tetrachloride, zirconyl chloride and uranyl nitrate. While 2:3(metal:ligand) type compounds of isatin have been obtained with Ti(IV) and Sn(IV), zirconium(IV), thorium(IV), and uranium(VI) do not react with the ligand under similar experimental conditions. Furoic acid (FAH) and picolinic acid(PicH) form various chloro furoates and picolinates when reacted with TiCl 4 , ZrOCl 2 and ThCl 4 , but do not react with SnCl 4 . The various compounds synthesised have been characterised on the basis of elemental analysis, infrared studies, conductivity and thermogravimetric measurements. (author). 1 tab., 10 refs

A new one-dimensional compound: Synthesis and structure of InNb3(Se2)6

International Nuclear Information System (INIS)

Deng Shuiquan; Zhuang Honghui; Huang Jinshun; Huang Jingling

1993-01-01

The new one-dimensional compound, indium niobium selenide, was synthesized by high-temperature solid-state reactions. The structure is composed of [Nb 3 (Se 2 ) 6 ] ∞ chains running along the c axis with In atoms intercalated between these chains. All the Nb atoms have rectangular antiprismatic coordination environments. All the Se atoms in the structure are in the form of Se 2 dimers with Se-Se distances of 2.325(2) and 2.356(2) A. (orig.)

Assembly of three new POM-based Ag(I) coordination polymers with antibacterial and photocatalytic properties

Energy Technology Data Exchange (ETDEWEB)

Lu, Xin-Xin; Luo, Yu-Hui [Institute of Polyoxometalate Chemistry, Department of Chemistry, Northeast Normal University, Changchun, Jilin 130024, PR China (China); Lu, Chen [School of Pharmaceutical and Life Sciences,Changzhou University, Changzhou, Jiangsu 213164 (China); Chen, Xin, E-mail: xinchen@cczu.edu.cn [School of Pharmaceutical and Life Sciences,Changzhou University, Changzhou, Jiangsu 213164 (China); Zhang, Hong, E-mail: zhangh@nenu.edu.cn [Institute of Polyoxometalate Chemistry, Department of Chemistry, Northeast Normal University, Changchun, Jilin 130024, PR China (China)

2015-12-15

Three new silver coordination polymers, namely, {Ag_3(bpy)_6[PW_1_2O_4_0]} (1), {Ag_5(H_2biim)_2(Hbiim-NO_2)_2[PW_1_2O_4_0]} (2), {Ag_7(pytz)_4[PW_1_2O_4_0]} (3) (bpy=2,2′-bipyridine, H{sub 2}biim=2,2′-biimidazole, pytz=4-(1H-tetrazol-5-yl)pyridine), have been synthesized under hydrothermal condition. Compound 1 shows a 3D supramolecular framework based on 0D moieties. Compound 2 exhibits an attractive 2D biologic screw axis. Compound 3 displays a 3D structure, which consists of Ag(I)···π interactions, π···π stacking and weak Ag···Ag interactions. It is noteworthy that nitration happens to compound 2 during the hydrothermal condition, which is quite rare. Through contrasting the antibacterial activities of gram negative and gram positive bacteria, we find compounds 1–3 have better antibacterial property in gram negative bacteria than gram positive bacteria. In addition, compounds 1–3 also exhibit efficiency of photocatalytic decomposition of organic dyes. Those compounds may be used as potential multifunctional materials in wastewater treatment, because they not only can kill bacteria but also degrade organic pollutants. - Highlights: • Three new silver coordination polymers have been synthesized under hydrothermal condition. • Due to different coordination modes of rigid N-donor ligands, structures of the title compounds vary from 0D to 3D frameworks. • It is noteworthy that nitration happens to compound 2 during the hydrothermal condition, which is quite rare. • In addition, these compounds exhibit efficiency of photocatalytic decomposition of dyes and antibacterial activities.

An introduction to the chemistry of complex compounds

CERN Document Server

Grinberg, Aleksander Abramovich; Trimble, R F

1962-01-01

An Introduction to the Chemistry of Complex Compounds discusses the fundamental concepts that are essential in understanding the underlying principles of complex compounds. The coverage of the book includes the compounds of the hexa, penta, and tetrammine type; compounds of the tri, dl, monoamine and hexacido types for the coordination number of 6; and complex compounds with a coordination number of 4. The text also covers the effects and chemical properties of complex compounds, such as the nature of the force of complex formation; the mutual effects of coordinated groups; and acid-base prope

Synthesis and Characterization of a New Coordinative Compound of Cu(II with 1-(3 Bromo, 2 Hydroxy, 4 Methylphenyl- 2-(4 Bromo-Phenyl-Sulphanyl- Etanone

Directory of Open Access Journals (Sweden)

Antighin Simona

2015-07-01

Full Text Available Continuing the research in the field of complex compounds, the authors present in this paper the synthesis and characterization of a new compound of Cu(II with the ligand 1-(3 bromo, 2 hydroxy, 4 methyl-phenyl-2-(4 bromophenyl- sulphanyl-etanone. Different methods were used, such as chemical elemental analysis, thermal-gravimetry, infrared absorption spectroscopy and electronic spin resonance (ESR. From chemical analysis resulted that the combination ratio ligand-central atom is 2:1. The new compound can also be used for gravimetric determination of Cu(II.

New coordination compounds of europium (3) with fluorated β-diketones and their use as lanthanide shift reagents

International Nuclear Information System (INIS)

Goryushko, A.G.; Davidenko, N.K.; Kudryavtseva, L.S.; Lozinskij, M.O.; Lugina, L.N.; Fialkov, Yu.A.

1980-01-01

Altogether five coordination compounds of europium (3) of the composition EuL 3 , wherein HL is a fluorinated beta-diketone containing in its fluorinated linear or cyclic radical a heteroatom, such as oxygen, have been obtained. The hygroscopicity of the obtained tris-beta-ketones has been tested. Their activity as lanthanide shifting agents for NMR spectroscopy purposes has been analyzed and the stability constants of their monoadducts with ethyl acetate have been determined [ru

Construction of Six Coordination Polymers Based on a 5,5′-(1,2-Ethynyl)bis-1,3-benzenedicarboxylic Ligand: Synthesis, Structure, Gas Sorption, and Magnetic Properties

KAUST Repository

Zheng, Bing

2013-03-06

Six novel coordination polymers based on a multifunctional ligand, 5,5\\'-(1,2-ethynyl)bis-1,3-benzenedicarboxylic (H4EBDC), namely, |(C3H7NO)2(H2O)7(C 2H5OH)3| [Zn2(C18H 6O8)(C10H8N2) 2] (1), |(C3H7NO)3(H2O)30- (CH3CN)2|[Zn 6(C18H6O8)3(C 6H12N2O2)2] (2), |(C 3H7NO)2- (H2O)2(H 3O)2|[Cd3(C18H6O 8)2] (3), |(C3H7NO)|[Mn- (C 18H8O8)(C3H7NO) 2] (4), |(C3H7NO)2(H2O)(C 2H7N)3| [Mn6(C18H 7O8)4(H2O)8] (5), and [Mn2(C18H6O8)(C3H 7NO)2] (6), have been constructed under solvothermal conditions and structurally characterized by single-crystal X-ray diffraction. In these compounds, the ligand, H4EBDC, exhibits different coordination modes and conformations, constructing various architectures by bridging a variety of metal ions or polynuclear clusters. Compound 1 forms a three-dimensional (3D) FSC network constructed from two-dimensional (2D) layer motifs joined by EBDC4- and 4,4\\'-bipyridine bridges. Compound 2 possesses an NbO topology by linking Zn2(CO2)4 units with the ligand, coordinated amine molecules fill the pores, while compound 3 exhibits a 3D FLU network with Cd2+ as the cation and features an infinite framework built from tricadmium clusters. Compound 4 is based on PtS net, constructed of 4-connected rectangular H4EBDC units with tetrahedral monometallic Mn(CO2)4 nodes. Compound 5 is composed of 2D layers with (3,6)-connected KGD topology, and compound 6 consists of a 3D PtS-X network, built by bridging a metal chain with the ligand. The structures of these compounds have been discussed together with their corresponding properties, such as gas storage, separation, and magnetic properties. © 2013 American Chemical Society.

Correlation between the structure and biological activity studies of supramolecular coordination azodye compounds

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M.I. Abou-Dobara

2017-02-01

Full Text Available A series of novel bidentate azodye quinoline ligands were synthesized with various p-aromatic amines like p-(OCH3, CH3, H, Cl and NO2. Novel azodye (HLn and complexes [Cu(II/Ni(II] of these ligands have been characterized on the basis of elemental analysis, molar conductance and magnetic measurements, infrared and electronic spectral studies. Suitable structures have been proposed for these complexes. The synthesized ligands and their metal complexes were screened for their antimicrobial activity against four local bacterial species, two Gram positive bacteria (Bacillus cereus and Staphylococcus aureus and two Gram negative bacteria (Escherichia coli and Klebsiella pneumoniae as well as against four local fungal species; namely Aspergillus niger, Alternaria alternata, Penicillium italicum and Fusarium oxysporium. The tested compounds have good antibacterial activity against B. cereus, E. coli and K. pneumoniae. Very low effect was detected against S. aureus and F. oxysporium. We found that the results of antifungal activity of HLn revealed that the complexes are more toxic than ligands against fungi due to the transition metal involved in the coordination. Also Cu2+ complexes are more active than Ni2+ complexes against B. cereus, E. coli and K. pneumoniae. The size of the clear zone was in the following order p-(OCH3 < CH3 < H < Cl < NO2 as expected from Hammett’s constants σR.

A series of novel metal–organic coordination polymers constructed from the new 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole spacer and aromatic carboxylates: Synthesis, crystal structures, and luminescence properties

International Nuclear Information System (INIS)

Sun, Jiayin; Zhang, Daojun; Wang, Li; Zhang, Renchun; Wang, Junjie; Zeng, Ying; Zhan, Jinling; Xu, Jianing; Fan, Yong

2013-01-01

Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers, [Zn(L)(1,4-bdc) 0.5 ] (1), [Zn 1.5 (L)(2,5-pydc)] (2), [Zn(HL)(1,2,4,5-btec) 0.5 ] (3), and [Cd(HL)(1,2,4,5-btec) 0.5 ] (4) (1,4-bdc, 1,4-benzenedicarboxylate; 2,5-pydc, 2,5-pyridinedicarboxylate; 1,2,4,5-btec, 1,2,4,5-benzenetetracarboxylate) have been successfully synthesized and analyzed. Compound 1 features the 2D [Zn(L)] n layers built by μ 3 -L bridging ligands and Zn(II) ions, which are further linked by pillared 1,4-bdc 2− ligands to form a 2-fold interpenetrating dmc framework. The 3D network of compound 2 can be simplified as a rare 2-nodal (3,6)-connected rtl (rutile) topology. Compound 3 possesses a 2D layer structure which is accomplished by connecting ladder-chains to L ligands. Compound 4 exhibits 2D [Cd(1,2,4,5-btec)] layers with infinite Cd–O–Cd rods and the adjacent 2D networks are further pillared by L with terminal bidentate coordination mode to generate the final 3D structure. The solid-state luminescent studies show that compounds 1–4 display intense fluorescent emissions. - Graphical abstract: Using bifunctional organic ligand 5-(4-imidazol-1-yl-phenyl)-2H-tetrazole (HL) and different aromatic carboxylates as secondary ligands, four novel metal-organic coordination polymers have been obtained. All compounds show good luminescence properties at room temperature. Display Omitted - Highlights: • Four Zn(II)/Cd(II)-MOCPs have been successfully prepared with the rigid bifunctional ligand 5-(4-imidazol -1-yl-phenyl) -2H-tetrazole and different aromatic carboxylates mixed ligands. • Compound 2 is a 2-nodal rtl (rutile) net and compound 4 is a binodal (5, 6)-connected net with yav topology. • Compounds 1-4 display intense fluorescent emissions at room temperature

Surface-Supported Robust 2D Lanthanide-Carboxylate Coordination Networks.

Science.gov (United States)

Urgel, José I; Cirera, Borja; Wang, Yang; Auwärter, Willi; Otero, Roberto; Gallego, José M; Alcamí, Manuel; Klyatskaya, Svetlana; Ruben, Mario; Martín, Fernando; Miranda, Rodolfo; Ecija, David; Barth, Johannes V

2015-12-16

Lanthanide-based metal-organic compounds and architectures are promising systems for sensing, heterogeneous catalysis, photoluminescence, and magnetism. Herein, the fabrication of interfacial 2D lanthanide-carboxylate networks is introduced. This study combines low- and variable-temperature scanning tunneling microscopy (STM) and X-ray photoemission spectroscopy (XPS) experiments, and density functional theory (DFT) calculations addressing their design and electronic properties. The bonding of ditopic linear linkers to Gd centers on a Cu(111) surface gives rise to extended nanoporous grids, comprising mononuclear nodes featuring eightfold lateral coordination. XPS and DFT elucidate the nature of the bond, indicating ionic characteristics, which is also manifest in appreciable thermal stability. This study introduces a new generation of robust low-dimensional metallosupramolecular systems incorporating the functionalities of the f-block elements. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coordination Polymers and Metal Organic Frameworks Derived from 1,2,4-Triazole Amino Acid Linkers

Directory of Open Access Journals (Sweden)

Yann Garcia

2011-10-01

Full Text Available The perceptible appearance of biomolecules as prospective building blocks in the architecture of coordination polymers (CPs and metal-organic frameworks (MOFs are redolent of their inclusion in the synthon/tecton library of reticular chemistry. In this frame, for the first time a synthetic strategy has been established for amine derivatization in amino acids into 1,2,4-triazoles. A set of novel 1,2,4-triazole derivatized amino acids were introduced as superlative precursors in the design of 1D coordination polymers, 2D chiral helicates and 3D metal-organic frameworks. Applications associated with these compounds are diverse and include gas adsorption-porosity partitioning, soft sacrificial matrix for morphology and phase selective cadmium oxide synthesis, FeII spin crossover materials, zinc-b-lactamases inhibitors, logistics for generation of chiral/non-centrosymmetric networks; and thus led to a foundation of a new family of functional CPs and MOFs that are reviewed in this invited contribution.

New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

International Nuclear Information System (INIS)

Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning; Yu, Jie-Hui; Zhang, Ping; Xu, Ji-Qing

2015-01-01

Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N′-donor ligands yielded three new coordination polymers as [Cu 4 (fph) 2 (bpe) 3 (H 2 O) 2 ]·2H 2 O (fph=4,4′-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co 2 (fph)(bpa) 2 (H 2 O) 2 ]·3H 2 O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H 2 O)(H 2 oph)(bpa)] (oph=4,4′-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu 2+ ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co 2+ ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1–3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors. - Graphical abstract: Structures of three semi-rigid V-shape tetracarboxylate-based coordination polymers were reported, and their magnetic properties were investigated. - Highlights: • Structures of three tetracarboxylate-based coordination polymers were reported. • Role of organic bases in metal–tetracarboxylate compounds was discussed. • Characters of V-shape and semi-rigidity for tetracarboxylate play a key role in crystal growth. • Their magnetic properties were investigated

New 3-D coordination polymers based on semi-rigid V-shape tetracarboxylates

Energy Technology Data Exchange (ETDEWEB)

Huang, Jing-Jing; Xu, Wei; Wang, Yan-Ning [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China); Yu, Jie-Hui, E-mail: jhyu@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China); Zhang, Ping, E-mail: zhangping@jlu.edu.cn [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); Xu, Ji-Qing [College of Chemistry, Jilin University, Jiefang Road 2519, Changchun 130023, Jilin (China); State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Qianjin Road 2699, Changchun 130012, Jilin (China)

2015-03-15

Under the hydrothermal conditions, the reactions of transition-metal salts, tetracarboxylic acids and N,N′-donor ligands yielded three new coordination polymers as [Cu{sub 4}(fph){sub 2}(bpe){sub 3}(H{sub 2}O){sub 2}]·2H{sub 2}O (fph=4,4′-(hexafluoroisopropylidene)diphthalate, bpe=1,2-bis(pyridyl)ethylene) 1, [Co{sub 2}(fph)(bpa){sub 2}(H{sub 2}O){sub 2}]·3H{sub 2}O (bpa=1,2-bis(pyridyl)ethylane) 2, and [Ni(H{sub 2}O)(H{sub 2}oph)(bpa)] (oph=4,4′-oxydiphthalate) 3. X-ray single-crystal diffraction analysis revealed that the title three compounds all possess the three-dimensional (3-D) network structures. For compound 1, the fph molecules first link the Cu{sup 2+} ions into a two-dimensional (2-D) wave-like layer with a (4,4) topology. The bpe molecules act as the second linkers, extending the 2-D layers into a 3-D network. For compound 2, the fph molecules still serve as the first connectors, linking the Co{sup 2+} ions into a one-dimensional (1-D) tube-like chain. Then the bpa molecules propagate the chains into a 3-D (4,4,4)-connected network. In the formation of the 3-D network of compound 3, the oph molecule does not play a role. The bpa molecules as well as the water molecules act as a mixed bridge. Only a kind of 4-connected metal node is observed in compound 3. The magnetic properties of compounds 1–3 were investigated and all exhibit the predominant antiferromegnetic magnetic behaviors. - Graphical abstract: Structures of three semi-rigid V-shape tetracarboxylate-based coordination polymers were reported, and their magnetic properties were investigated. - Highlights: • Structures of three tetracarboxylate-based coordination polymers were reported. • Role of organic bases in metal–tetracarboxylate compounds was discussed. • Characters of V-shape and semi-rigidity for tetracarboxylate play a key role in crystal growth. • Their magnetic properties were investigated.

Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands

International Nuclear Information System (INIS)

Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin

2017-01-01

Nine new lanthanide coordination polymers, namely, [Ln(Hsfpip)(ox) 0.5 (H 2 O)] n ·2n(H 2 O) ((Ln=Eu (1), Tb (2), Dy (3), Ho (4), Er (5), Yb (6), Y(7)), [Ln(H 2 sfpip)(ox)(H 2 O) 4 ] n ·2n(H 2 O) (Ln=Nd (8) Sm (9)), [H 2 ox=oxalic acid, H 3 sfpip=2-(2,4-disulfophenyl)imidazo(4,5-f)(1,10)-phenanthroline] have been synthesized under hydrothermal conditions and characterized by IR spectra, elemental analysis, powder X-ray diffraction and single crystal X-ray diffraction. When sodium oxalate is added, the reactions of lanthanide ions with H 3 sfpip resulted in two types of structures. Compounds 1–7 are obtained at pH 5.0 and exhibit 3D tfz-d networks with ox 2− anions as linkers to bridge the adjacent layers. Compounds 8–9 are obtained at pH 2.0, and display a 1D chain which is further extended to a 3D supramolecular framework through intermolecular hydrogen bonds and π-π interactions. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. Moreover, the thermal stabilities and luminescence properties of 1–9 were also investigated. - Graphical abstract: Nine new lanthanide coordination polymers have been synthesized under hydrothermal conditions. Compounds 1–7 exhibit a 3D tfz-d network. Compounds 8–9 display a 1D chain structure. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. - Highlights: • Nine lanthanide coordination polymers were prepared under hydrothermal conditions. • Their crystal structures have been determined. • The luminescence and thermal stabilities were studied in the solid state.

Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands

Energy Technology Data Exchange (ETDEWEB)

Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN; An, Ran; Yang, Meng-Lin; Xue, Ganglin

2017-01-15

Nine new lanthanide coordination polymers, namely, [Ln(Hsfpip)(ox){sub 0.5}(H{sub 2}O)]{sub n}·2n(H{sub 2}O) ((Ln=Eu (1), Tb (2), Dy (3), Ho (4), Er (5), Yb (6), Y(7)), [Ln(H{sub 2}sfpip)(ox)(H{sub 2}O){sub 4}]{sub n}·2n(H{sub 2}O) (Ln=Nd (8) Sm (9)), [H{sub 2}ox=oxalic acid, H{sub 3}sfpip=2-(2,4-disulfophenyl)imidazo(4,5-f)(1,10)-phenanthroline] have been synthesized under hydrothermal conditions and characterized by IR spectra, elemental analysis, powder X-ray diffraction and single crystal X-ray diffraction. When sodium oxalate is added, the reactions of lanthanide ions with H{sub 3}sfpip resulted in two types of structures. Compounds 1–7 are obtained at pH 5.0 and exhibit 3D tfz-d networks with ox{sup 2−} anions as linkers to bridge the adjacent layers. Compounds 8–9 are obtained at pH 2.0, and display a 1D chain which is further extended to a 3D supramolecular framework through intermolecular hydrogen bonds and π-π interactions. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. Moreover, the thermal stabilities and luminescence properties of 1–9 were also investigated. - Graphical abstract: Nine new lanthanide coordination polymers have been synthesized under hydrothermal conditions. Compounds 1–7 exhibit a 3D tfz-d network. Compounds 8–9 display a 1D chain structure. The structural variation from compounds 1–7 to 8–9 can attribute to the pH effect on construction of lanthanide coordination polymers. - Highlights: • Nine lanthanide coordination polymers were prepared under hydrothermal conditions. • Their crystal structures have been determined. • The luminescence and thermal stabilities were studied in the solid state.

Coordination compounds in nuclear medicine

International Nuclear Information System (INIS)

Jurisson, S.; Berning, D.; Wei Jia; Dangshe Ma

1993-01-01

Radiopharmaceuticals, drugs containing a radionuclide, are used routinely in nuclear medicine departments for the diagnosis of disease and are under investigation for use in the treatment of disease. Nuclear medicine takes advantage of both the nuclear properties of the radionuclide and the pharmacological properties of the radiopharmaceutical. Herein lies the real strength of nuclear medicine, the ability to monitor biochemical and physiological functions in vivo. This review discusses the coordination chemistry that forms the basis for nuclear medicine applications of the FDA-approved radiopharmaceuticals that are in clinical use, and of the most promising diagnostic and therapeutic radiopharmaceuticals that are in various stages of development. 232 refs

Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis-(2-hy-droxy-eth-yl)glycine anion.

Science.gov (United States)

Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling

2016-10-01

The reaction of CoCl 2 ·6H 2 O, N , N -bis-(2-hy-droxy-eth-yl)glycine and tri-ethyl-amine (Et 3 N) in ethanol solution under solvothermal conditions produced crystals of [ N , N -bis-(2-hy-droxy-eth-yl)glycinato]chloridocobalt(II), [Co(C 6 H 12 NO 4 )Cl]. The Co II ion is coordinated in a slightly distorted trigonal-bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O-H⋯O hydrogen bonds connect the mol-ecules, forming a two-dimensional network parallel to (001). The mol-ecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI-MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized.

Physicochemical, Spectral, and Biological Studies of Mn(II, Cu(II, Cd(II, Zr(OH2(IV, and UO2(VI Compounds with Ligand Containing Thiazolidin-4-one Moiety

Directory of Open Access Journals (Sweden)

Dinesh Kumar

2014-01-01

Full Text Available The Schiff base (I upon reacting with mercaptoacetic acid in dry benzene undergoes cyclization and forms N-(2-carbamoylthienyl-C-(3′-carboxy-2′-hydroxyphenylthiazolidin-4-one, LH3 (II. A MeOH solution of II reacts with Mn(II, Cu(II, Cd(II, Zr(OH2(IV, and UO2(VI ions and forms the coordination compounds, [Mn(LH(MeOH2], [Cu(LH]2, [Cd(LH], [Zr(OH2(OAc2(LH3], and [UO2(NO3(LH2(MeOH]. The compounds have been characterized on the basis of elemental analyses, molar conductance, molecular weight, spectral (IR, reflectance, and EPR studies and magnetic susceptibility measurements. LH3 behaves as a neutral tridentate ONS donor ligand in [Zr(OH2(OAc2(LH3], monobasic tridentate ONS donor ligand in [UO2(NO3(LH2(MeOH], dibasic tridentate OOS donor ligand in [Cu(LH]2 and dibasic tetradentate OONO donor ligand in [Mn(LH(MeOH2] and [Cd(LH]. [Cu(LH]2 is dimer, while all other compounds are monomers in diphenyl. A square-planar structure for [Cu(LH]2, a tetrahedral structure for [Cd(LH], an octahedral structure for [Mn(LH(MeOH2], a pentagonal-bipyramidal structure for [Zr(OH2(OAc2(LH3], and an eight-coordinate structure for [UO2(NO3(LH2(MeOH] are proposed. The ligand (II and its compounds show antibacterial activities towards E. coli. (Gram negative and S. aureus (Gram positive.

Three new Ag(I) coordination architectures based on mixed ligands: Syntheses, structures and photoluminescent properties

Energy Technology Data Exchange (ETDEWEB)

Li, Yamin, E-mail: liyamin@henu.edu.cn [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Xiao, Changyu; Li, Shu; Chen, Qi; Li, Beibei; Liao, Qian; Niu, Jingyang [Institute of Molecular and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan 475004 (China)

2013-04-15

Three new silver (I) coordination complexes, [Ag{sub 2}(1,2-bdc)(phdat)]{sub n} (1), [Ag{sub 2}(NO{sub 2}-bdc)(phdat)]{sub n} (2), [Ag{sub 4}(nta){sub 3}(phdat)NO{sub 3}]{sub n} (3) (1,2-bdc=phthalic acid dianion, NO{sub 2}-bdc=5-nitro-1,3-benzenedicarboxylic acid dianion, nta=nicotinic acid anion, phdat=2,4-diamine-6-phenyl-1,3,5-triazine) have been hydrothermally synthesized by the reactions of silver nitrate and phdat with the homologous ligands 1,2-H{sub 2}bdc, NO{sub 2}-H{sub 2}bdc, and Hnta, respectively, and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses thermogravimetric analyses (TGA). The compound 1 exhibits a chiral 3D network with cbs/CrB self-dual topological net, which contains two kinds of single helical chains. For compound 2, the 3D network is comprised of two kinds of similar 2D sheets with the topological symbol of sql-type packed in AABBAA mode by Ag–N/O weakly contacts. And compound 3 has 2D double layer architecture, consisting of the 2D plane with hcb-type topological symbol connected by Ag–O weakly coordinations. The photoluminescent properties associated with the crystal structures of three compounds have also been measured. - Graphical abstract: Three new silver(I) coordination complexes 1–3 have been synthesized and characterized by single-crystal X-ray diffractions, IR spectra, elemental analyses, thermogravimetric analyses (TGA) and photoluminescent spectra. Highlights: ► The compound 1 exhibits a novel chiral 3D network with two kinds of single helical chains. ► 3D or 2D new Ag coordination complexes. ► The photoluminescent properties have been measured.

Spectral studies of coordination compounds of cobalt(II) with thiosemicarbazone of heterocyclic ketone

Science.gov (United States)

Chandra, Sulekh; Kumar, Umendra

2005-12-01

The paper presents the spectral analysis of cobalt(II) complexes with indoxyl thiosemicarbazone (ITSC) of general composition [CoL 2X 2] (where L = ITSC, X = Cl -, NO 3-, (1/2)SO 42-, NCS -). The geometry of the complexes have been characterized by elemental analysis, molar conductance, magnetic susceptibility measurements and spectral (electronic, IR, EPR, 1H NMR, mass) studies. The various physico-chemical techniques suggested a coordination number of six (octahedral) for chloro, nitrato and thiocyanato complexes. Whereas sulfato complex was found to have five coordinate trigonal-bipyramidal geometry. All the complexes are of high spin type showing magnetic moment corresponding to three unpaired electrons.

EPR-study of reversible oxygenation process of coordination compounds of cobalt(II) with S-substituted N/sup 1/,N/sup 4/-di(salicylidene)-isothiosemicarbazides

Energy Technology Data Exchange (ETDEWEB)

Gerbeleu, N.V.; Revenko, M.D.; Rusu, V.G.; Shames, A.T.

1987-09-01

The reaction between molecular oxygen and coordination compounds of cobalt(II) with S-substituted N/sup 1/,N/sup 4/-di(salicylidene)isothiosemicarbazides in dimethyl sulfoxide solution was studied by the EPR method. It was found that paramagnetic monomeric adducts and diamagnetic ..mu..-peroxo-dimers are formed. The spin-Hamiltonian parameters of the EPR spectra of the initial cobalt complexes, as well as of the paramagnetic adducts were determined. The nature of the Co-O/sub 2/ bond is discussed.

Diverse CdII coordination complexes derived from bromide isophthalic acid binding with auxiliary N-donor ligands

International Nuclear Information System (INIS)

Tang, Meng; Dong, Bao-Xia; Wu, Yi-Chen; Yang, Fang; Liu, Wen-Long; Teng, Yun-Lei

2016-01-01

The coordination characteristics of 4-bromoisophthalic acid (4-Br-H 2 ip) have been investigated in a series of Cd II -based frameworks. Hydrothermal reactions of Cd II salts and 4-Br-H 2 ip together with flexible or semiflexible N-donor auxiliary ligands resulted in the formation of four three-dimensional coordination complexes with diverse structures: (Cd(bix) 0.5 (bix) 0.5 (4-Br-ip)]·H 2 O) n (1), [Cd(bbi) 0.5 (bbi) 0.5 (4-Br-ip)] n (2), ([Cd(btx) 0.5 (4-Br-ip)(H 2 O)]·0.5CH 3 OH·H 2 O) n (3) and ([Cd(bbt) 0.5 (4-Br-ip)(H 2 O)]·3·5H 2 O) n (4). These compounds were characterized by elemental analyses, IR spectra, single-crystal and powder X-ray diffraction. They displayed diverse structures depending on the configuration of the 4-connected metal node, the coordination mode of the 4-Br-H 2 ip, the coordination ability and conformationally flexibility of the N-donor auxiliary. Compound 1 exhibits 3-fold interpenetrated 6 6 topology and compound 2 has a 4 12 topology. Compounds 3–4 have similar 3D pillar-layered structures based on 3,4-connected binodal net with the Schläfli symbol of (4·3 8 ). The thermal stabilities and photoluminescence properties of them were discussed in detail. - Graphical abstract: Four 3D Cd II coordination complexes on the basis of 4-bromoisophthalic acid (4-Br-H 2 ip) and two types of flexible (bbi, bbt) and semiflexible (bix, btx) N-donor ligands are prepared. They displayed diverse topology structures of 6 6 (1), 4 12 (2) and 4·3 8 (3−4), depending on the configuration of the 4-connected metal node, the coordination mode of the 4-Br-H 2 ip, the coordination ability and conformationally flexibility of the N-donor auxiliary ligand. - Highlights: • Four 3D Cd II coordination complexes based on 4-Br-H 2 ip and flexible/semiflexible N-donor ligands have been synthesized. • They displayed diverse topology structures of 6 6 for 1, 4 12 for 2 and 4·3 8 for 3–4. • The structural diversity depends on the configuration of 4-Br

Diversity of coordination modes in the polymers based on 3,3',4,4'-biphenylcarboxylate ligand

International Nuclear Information System (INIS)

Du Xiaodi; Xiao Hongping; Zhou Xinhui; Wu Tao; You Xiaozeng

2010-01-01

Four new compounds [Ni 2 (4,4'-bpy)(3,4-bptc)(H 2 O) 4 ] n (1), [Ni(4,4'-bpy)(3,4-H 2 bptc)(H 2 O) 3 ] n (2), [Mn 2 (2,2'-bpy) 4 (3,4-H 2 bptc) 2 ] (3) and {[Mn(1,10-phen) 2 (3,4-H 2 bptc)].4H 2 O} n (4) (3,4-H 4 bptc=3,3',4,4'-biphenyltetracarboxylic acid, 4,4'-bpy=4,4'-bipyridine, 2,2'-bpy=2,2'-bipyridine, 1, 10-phen=1, 10-phenanthroline), have been prepared and structurally characterized. In all compounds, the derivative ligands of 3,4-H 4 bptc (3,4-bptc 4- and 3,4-H 2 bptc 2- ) exhibit different coordination modes and lead to the formation of various architectures. Compounds 1 and 2 display the three-dimensional (3D) framework: 1 shows a 3,4-connected topological network with (8 3 )(8 5 .10) topology symbol based on the coordination bonds while in 2, the hydrogen-bonding interactions are observed to connect the 1D linear chain generating a final 3D framework. 3 exhibits the 2D layer constructed from the hydrogen-bonding interactions between the dinuclear manganese units. Complex 4 shows the double layers motif through connecting the 1D zigzag chains with hydrogen-bonded rings. The thermal stability of 1-4 and magnetic property of 1 were also reported. - Graphical abstract: Four coordination compounds exhibiting four coordination modes of the 3,3',4,4'-biphenylcarboxylate ligand, with three of new in this system, are obtained showing diversified architectures.

Syntheses, structures and luminescence for zinc coordination polymers based on a multifunctional 4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine ligand

Energy Technology Data Exchange (ETDEWEB)

Cheng, Yue; Yang, Meng-Lin; Hu, Huai-Ming, E-mail: ChemHu1@NWU.EDU.CN; Xu, Bing; Wang, Xiaofang; Xue, Ganglin

2016-07-15

Six new coordination polymers, [ZnLCl]{sub n}(1), [ZnL{sub 2}]{sub n}·2nH{sub 2}O (2), [Zn{sub 2}L(o-bdc)(OH)]{sub n}·0.5nH{sub 2}O (3), [Zn{sub 2}L(m-bdc)(OH)]{sub n}·nH{sub 2}O (4), [Zn{sub 2}L{sub 2}(p-bdc) (H{sub 2}O){sub 2}]{sub n}·nH{sub 2}O (5), [Zn{sub 2}L(1,2,4-btc)(H{sub 2}O)]{sub n}(6), (HL=4′-(3-carboxyphenyl)- 3,2′:6′,3″-terpyridine, H{sub 2}(o-bdc)= benzene-1,2-dicarboxylic acid, H{sub 2}(m-bdc)= benzene-1,3-dicarboxylic acid, H{sub 2}(p-bdc)= benzene-1,4-dicarboxylic acid, H{sub 3}(1,2,4-btc)= benzene-1,2,4-tricarboxylic acid) have been synthesized under the hydrothermal conditions. Compound 1 displays a 3-connected 2D network structure with point symbol of {8"2.10}. Compound 2 exhibits 1D infinite loop chain structure. Compound 3 possesses a (3,8)-connected 3D framework composed of tetranuclear units with point symbol of {4"3}{sub 2}{4"6.6"1"8.8"4}. Compound 4 features a typical 2D hcb network based on tetranuclear zinc(II) units with point symbol of {4"4.6"2}. Compound 5 presents a classical two-fold penetration sql network with point symbol of {6"3}. Compound 6 can be seen as a (3,3,6)-connected 3D net with point symbol of {4"2.6"4.8"9}{4"2.6}{6"3}. The thermal stability and luminescent properties of compounds 1–6 in the solid state are discussed in detail. - Graphical abstract: Six new Zn(II) coordination polymers based on multicarboxylate and terpyridyl derivative ligands have synthesized under the hydrothermal conditions and the thermal stability and luminescence are discussed. Display Omitted.

Solid-state polymerisation via [2+2] cycloaddition reaction involving coordination polymers.

Science.gov (United States)

Medishetty, Raghavender; Park, In-Hyeok; Lee, Shim Sung; Vittal, Jagadese J

2016-03-14

Highly crystalline metal ions containing organic polymers are potentially useful to manipulate the magnetic and optical properties to make advanced multifunctional materials. However, it is challenging to synthesise monocrystalline metal complexes of organic polymers and single-phase hybrid materials made up of both coordination and organic polymers by traditional solution crystallisation. This requires an entirely different approach in the solid-state by thermal or photo polymerisation of the ligands. Among the photochemical methods available, [2+2] cycloaddition reaction has been recently employed to generate cyclobutane based coordination polymers from the metal complexes. Cyclobutane polymers have also been integrated into coordination polymers in this way. Recent advancements in the construction of polymeric chains of cyclobutane rings through photo-dimerisation reaction in the monocrystalline solids containing metal complexes, coordination polymers and metal-organic framework structures are discussed here.

Crystal structure, thermochromic and magnetic properties of organic-inorganic hybrid compound: (C7H7N2S)2CuCl4

Science.gov (United States)

Vishwakarma, Ashok K.; Kumari, Reema; Ghalsasi, Prasanna S.; Arulsamy, Navamoney

2017-08-01

The synthesis, thermal analysis, crystal structure and magnetic properties of (2-aminobenzothiazolium)2CuCl4, organic-inorganic hybrid compound, have been described. The compound crystallizes in the monoclinic space group P21/c with two formula units in a unit cell of dimensions a = 6.9522(4) Å, b = 9.6979(4) Å, c = 13.9633(6) Å, β = 97.849(3)° and volume 930.83(8) Å3 at 150(2) K. The structure consists of isolated nearly square planer [CuC14]2- units, with somewhat longer than normal Cusbnd Cl bond lengths [Cusbnd Cl (average) = 2.2711 Å]. The magnetic measurements of (2-aminobenzothiazolium)2CuCl4 using SQUID magnetometer show paramagnetic nature of the compound. Thermal measurements (TG-DTA and DSC) on this compound showed reversible phase transition at 83 °C. This transition is accompanied by the reversible change in colour of the prismatic crystal from green to dark brown, thermochromic behaviour. Temperature dependent EPR measurements on powdered sample ascertain change in coordination sphere around Cu(II) with shift in g|| = 2.150 and g⊥ = 2.071 at room temperature, typical of square planar, to g|| = 2.201 and g⊥ = 2.182 at 170 °C, typical of distorted tetrahedral geometry.

Synthesis and Molecular Structures of Two [1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene]-dichloro-Zn(II) Coordination Polymers

OpenAIRE

Lee, Gene-Hsiang; Wang, Hsin-Ta

2006-01-01

Two novel coordination polymers with 3D metal-organic frameworks (MOFs) have been synthesized by reacting 1,4-bis(3-pyridyl)-2,3-diazo-1,3-butadiene (L) with zinc dichloride. Both compounds have the same repeating unit consisting of a distorted tetrahedral Zn(II) center coordinated by two chlorides and two pyridyl nitrogen atoms of two bridging bismonodentate L ligands, however, different structural conformations have been found, one forming a helical chain and the other producing a square-wa...

One-dimensional ferromagnetic array compound [Co3(SBA)2(OH)2(H2O)2]n, (SBA = 4-sulfobenzoate)

Science.gov (United States)

Honda, Zentaro; Nomoto, Naoyuki; Fujihara, Takashi; Hagiwara, Masayuki; Kida, Takanori; Sawada, Yuya; Fukuda, Takeshi; Kamata, Norihiko

2018-06-01

We report on the syntheses, crystal structure, and magnetic properties of the transition metal coordination polymer [Co3(SBA)2(OH)2(H2O)2]n, (SBA = 4-sulfobenzoate) in which CoO6 octahedra are linked through their edges, forming one-dimensional (1D) Co(II) arrays running along the crystal a-axis. These arrays are further perpendicularly bridged by SBA ligand to construct a three-dimensional framework. Its magnetic properties have been investigated, and ferromagnetic interactions within the arrays have been found. From heat capacity measurements, we have found that this compound exhibits a three-dimensional ferromagnetic phase transition at TC = 1.54 K, and the specific heat just above TC shows a Schottky anomaly which originates from an energy gap caused by uniaxial magnetic anisotropy. These results suggest that [Co3(SBA)2(OH)2(H2O)2]n consists of weakly coupled 1D ferromagnetic Ising arrays.

Conjugated polymer with carboxylate groups-Hg2 + system as a turn-on fluorescence probe for label-free detection of cysteine-containing compounds

Science.gov (United States)

Mi, Hongyu; Guan, Mingming; Liu, Jilin; Shan, Hongyan; Fei, Qiang; Huan, Yanfu; Feng, Guodong

2017-04-01

In this work, a turn on fluorescent sensor, based on Hg2 + coordination conjugated polymer, was developed to detect cysteine-containing compounds. The fluorescence of conjugated polymer (poly(2,5-bis (sodium 4-oxybutyrate) -1,4 - phenylethynylene-alt-1,4-phenyleneethynylene; PPE-OBS) would be quenched by Hg2 + because of the coordination-induced aggregation and electron transfers of PPE-OBS toward Hg2 +. When there were some cysteine-containing compounds in PPE-OBS-Hg2 + system, the fluorescence of PPE-OBS would be recovered. It indicated that the PPE-OBS-Hg2 + system could be used to detect cysteine-containing compounds. Under the optimized conditions, the experiment results showed that there were particularly linear range, high sensitivity and selectivity over other amino acids. The limit of detection (LOD) of cysteine (Cys), homocysteine (Hcy) and glutathione (GSH) were 0.725 μmol L- 1, 0.982 μmol L- 1 and 1.21 μmol L- 1 by using this sensor. In addition, Cys standard recovery in several green tea drink and honey samples was also demonstrated. The recovery of Cys was range from 96.3 to 105.0% and RSD was less than 3.25%. The satisfactory results demonstrated that the proposed method could be as a potential fluorescent method for determining cysteine-containing compounds in real samples.

Coordination Architectures of energetic Cd (II) coordination polymers constructed by the bifunctional substituted-tetrazole-carboxylate ligands

Energy Technology Data Exchange (ETDEWEB)

Shen, Lei; Bai, Yu; Min, Yu-Ting; Jia, Tian-Tian; Wu, Qi; Wang, Jing; Geng, Fei; Cheng, Hong-Jian [Department of Chemistry & Materials Engineering, Jiangsu Key Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500 (China); Zhu, Dun-Ru [College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China); Yang, Jie, E-mail: jieyang@cslg.edu.cn [Department of Chemistry & Materials Engineering, Jiangsu Key Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500 (China); Yang, Gao-Wen, E-mail: ygwsx@126.com [Department of Chemistry & Materials Engineering, Jiangsu Key Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500 (China)

2016-12-15

Three different tetrazole-carboxylate ligands, monotetrazole-carboxylate H{sub 2}tza (H{sub 2}tza=1,5-tetrazole-diacetic acid), Hpztza (Hpztza=5-(2-pyrazinyl)tetrazole-2(1-methyl)acetic acid), ditetrazole-carboxylate H{sub 2}tzpha (H{sub 2}tzpha=1,3-di(tetrazole-5-yl)benzene-N2,N2′-diacetic acid) have been chosen to react with CdCl{sub 2}·6H{sub 2}O, resulting in the formation of three new compounds [Cd{sub 2}(tza){sub 2}] (1), [Cd(pztza){sub 2}] (2) and [Cd(tzpha)(CH{sub 3}OH){sub 2}] (3). The coordinate sites of the three ligands are major influenced by the different substituted group of tetrazole ring. These compounds have been characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 displays a complex 3D structure; compound 2 shows a 3D network and compound 3 features a 2D layer network. Furthermore, the luminescence properties investigated at room temperature in the solid state showed excellent ligand-centered luminescence. The obvious enhancement in luminescence makes these compounds potential materials for optical use. The differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses were applied to evaluate the thermal decomposition behavior of such compounds, showing that compounds 2 and 3 can be used as potential energetic materials. The relevant thermodynamic parameters ΔH, ΔS and ΔG were calculated as well. - Graphical abstract: H{sub 2}tza, Hpztza and H{sub 2}tzpha have been prepared. Three novel Cd (II)compounds were synthesized by reactions of CdCl{sub 2}·6H{sub 2}O, namely three dimensional [Cd{sub 2}(tza){sub 2}] (1), three dimensional [Cd(pztza){sub 2}] (2), and two dimensional [Cd(tzpha)(CH{sub 3}O){sub 2}] (3). The luminescences were investigated. Furthermore, the DSC show compounds 1 and 3 can be used as potential explosive materials.

Cobalt Coordination and Clustering in α-Co(OH)2 Revealed by Synchrotron X-ray Total Scattering

International Nuclear Information System (INIS)

Neilson, James R.; Kurzman, Joshua A.; Seshadri, Ram; Morse, Daniel E.

2010-01-01

Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and approaches for understanding the properties of these and related layered materials. Structures related to that of brucite (Mg(OH) 2 ) are ubiquitous in the mineral world and offer a variety of useful functions ranging from catalysis and ion-exchange to sequestration and energy transduction, including applications in batteries. However, it has been difficult to resolve the atomic structure of these layered compounds because interlayer disorder disrupts the long-range periodicity necessary for diffraction-based structure determination. For this reason, traditional unit-cell-based descriptions have remained inaccurate. Here we apply, for the first time to such layered hydroxides, synchrotron X-ray total scattering methods - analyzing both the Bragg and diffuse components - to resolve the intralayer structure of three different α-cobalt hydroxides, revealing the nature and distribution of metal site coordination. The different compounds with incorporated chloride ions have been prepared with kinetic control of hydrolysis to yield different ratios of octahedrally and tetrahedrally coordinated cobalt ions within the layers, as confirmed by total scattering. Real-space analyses indicate local clustering of polyhedra within the layers, manifested in the weighted average of different ordered phases with fixed fractions of tetrahedrally coordinated cobalt sites. These results, hidden from an averaged unit-cell description, reveal new structural characteristics that are essential to understanding the origin of fundamental material properties such as color, anion exchange capacity, and magnetic behavior. Our results also provide further insights into the detailed

Cobalt coordination and clustering in alpha-Co(OH)(2) revealed by synchrotron X-ray total scattering.

Science.gov (United States)

Neilson, James R; Kurzman, Joshua A; Seshadri, Ram; Morse, Daniel E

2010-09-03

Structures of layered metal hydroxides are not well described by traditional crystallography. Total scattering from a synthesis-controlled subset of these materials, as described here, reveals that different cobalt coordination polyhedra cluster within each layer on short length scales, offering new insights and approaches for understanding the properties of these and related layered materials. Structures related to that of brucite [Mg(OH)(2)] are ubiquitous in the mineral world and offer a variety of useful functions ranging from catalysis and ion-exchange to sequestration and energy transduction, including applications in batteries. However, it has been difficult to resolve the atomic structure of these layered compounds because interlayer disorder disrupts the long-range periodicity necessary for diffraction-based structure determination. For this reason, traditional unit-cell-based descriptions have remained inaccurate. Here we apply, for the first time to such layered hydroxides, synchrotron X-ray total scattering methods-analyzing both the Bragg and diffuse components-to resolve the intralayer structure of three different alpha-cobalt hydroxides, revealing the nature and distribution of metal site coordination. The different compounds with incorporated chloride ions have been prepared with kinetic control of hydrolysis to yield different ratios of octahedrally and tetrahedrally coordinated cobalt ions within the layers, as confirmed by total scattering. Real-space analyses indicate local clustering of polyhedra within the layers, manifested in the weighted average of different ordered phases with fixed fractions of tetrahedrally coordinated cobalt sites. These results, hidden from an averaged unit-cell description, reveal new structural characteristics that are essential to understanding the origin of fundamental material properties such as color, anion exchange capacity, and magnetic behavior. Our results also provide further insights into the detailed

Structural modulation and luminescent properties of four Cd{sup II} coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and flexible/rigid dicarboxylate ligands

Energy Technology Data Exchange (ETDEWEB)

Xia, Liang; Dong, Wen-Wen, E-mail: dongww1@126.com; Ye, Xiao; Zhao, Jun; Li, Dong-Sheng, E-mail: lidongsheng1@126.com

2016-10-15

To systematically investigate the influence of the flexible or rigid auxiliary ligands on the structures and properties of transition metal compounds, we synthesized four new d{sup 10} coordination polymers (CPs) from 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole (4-Hpzpt) and flexible/rigid dicarboxylate ligands, [Cd(4-pzpt){sub 2}]{sub n} (1), [Cd{sub 3}(4-pzpt){sub 2}(suc){sub 2}]{sub n} (2), [Cd{sub 2}(4-Hpzpt)(nbc){sub 2}(H{sub 2}O)]{sub n} (3) and ([Cd{sub 2}(4-pzpt){sub 2}(tfbdc)(H{sub 2}O){sub 4}]·H{sub 2}O){sub n} (4) (H{sub 2}suc=1,2-ethanedicarboxylic acid, H{sub 2}nbc=hthalene-1,4-dicarboxylic acid, H{sub 2}tfbdc =2,3,5,6-tetrafluoroterephthalic acid). Single crystal X-ray analysis indicates that compound 1 shows a 4{sup 4}-sql layer, which is extended to a 3D network via nonclassical C–H{sup …}N hydrogen bonds. Compound 2 possesses a 6-connected pcu-4{sup 12}0.6{sup 3} net composed of trinuclear Cd{sup II}-clusters. Compound 3 represents a rare 3D (3,4,4,5)-connected topology with a Schläfli symbol of (4·6·7)(4·5{sup 3}·7{sup 2})(5{sup 3}·6·7·9)(4{sup 2}·5{sup 5}·6·7{sup 2}). Compound 4 exhibits a 2D+2D→2D parallel interpenetrated 6{sup 3}-hcb network. The adjacent 2D networks are interdigitated with each other to form the resulting 3D supramolecular architecture through classical O–H{sup …}N and O–H{sup …}O hydrogen bonds. Structural diversities indicate that the nature of flexible/rigid-dicarboxlates plays crucial roles in modulating structures of these compounds. Moreover, the luminescent properties of them have been briefly investigated. - Graphical abstract: Four new Cd{sup II} coordination architectures constructed from the primary ligand 4-Hpzpt and flexible/rigid dicarboxylate coligands. Structural diversities indicate that the nature of flexible/rigid-dicarboxlates plays crucial roles in modulating structures of these compounds. And more, the thermal stability and luminescence are discussed. - Highlights: �

Role of N-Donor Sterics on the Coordination Environment and Dimensionality of Uranyl Thiophenedicarboxylate Coordination Polymers

Energy Technology Data Exchange (ETDEWEB)

Thangavelu, Sonia G. [Department; Butcher, Ray J. [Department; Cahill, Christopher L. [Department

2015-06-09

Thiophene 2,5-dicarboxylic acid (TDC) was reacted with uranyl acetate dihydrate and one (or none) of six N-donor chelating ligands (2,2'-bipyridine (BPY), 4,4'-dimethyl-2,2'-bipyridine (4-MeBPY), 5,5'-dimethyl-2,2'-bipyridine (5-MeBPY), 6,6'-dimethyl-2,2'-bipyridine (6-MeBPY), 4,4',6,6'-tetramethyl-2,2'-bipyridine (4,6-MeBPY), and tetrakis(2-pyridyl)pyrazine (TPPZ) to result in the crystallization of seven uranyl coordination polymers, which were characterized by their crystal structures and luminescence properties. The seven coordination polymers, Na2[(UO2)2(C6H2O4S)3]·4H2O (1), [(UO2)4(C6H2O4S)5(C10H8N2)2]·C10H10N2·3H2O (2), [(UO2)(C6H2O4S)(C12H12N3)] (3), [(UO2)(C6H2O4S)(C12H12N3)]·H2O (4), [(UO2)2(C6H2O4S)3]·(C12H14N2)·5H2O (5), [(UO2)3(CH3CO2)(C6H2O4S)4](C14H17N2)3·(C14H16N2)·H2O (6), and [(UO2)2(C6H2O4S)3](C24H18N6) (7), consist of either uranyl hexagonal bipyramidal or pentagonal bipyramidal coordination geometries. In all structures, structural variations in the local and global structures of 1–7 are influenced by the positions (or number) of methyl groups or pyridyl rings on the N-donor species, thus resulting in a wide diversity of structures ranging from single chains, double chains, or 2-D sheets. Direct coordination of N-donor ligands to uranyl centers is observed in the chain structures of 2–4 using BPY, 4-MeBPY, and 5-MeBPY, whereas the N-donor species participate as guests (as either neutral or charge balancing species) in the chain and sheet structures of 5–7 using 6-MeBPY, 4,6-MeBPY, and TPPZ, respectively. Compound 1 is the only structure that does not contain any N-donor ligands and thus crystallizes as a 2-D interpenetrating sheet. The luminescent properties of 1–7 are influenced by the direct coordination or noncoordination of N-donor species to uranyl centers. Compounds 2–4 exhibit typical UO22+ emission upon direct coordination of N-donors, but its absence is observed in 1

Benzannulated tris(2-mercapto-1-imidazolyl)hydroborato ligands: tetradentate κ4-S3H binding and access to monomeric monovalent thallium in an [S3] coordination environment.

Science.gov (United States)

Rong, Yi; Palmer, Joshua H; Parkin, Gerard

2014-01-21

The benzannulated tris(mercaptoimidazolyl)borohydride sodium complex, [Tm(Bu(t)Benz)]Na, has been synthesized via the reaction of NaBH4 with 1-tert-butyl-1,3-dihydro-2H-benzimidazole-2-thione, while [Tm(MeBenz)]K has been synthesized via the reaction of KBH4 with 1-methyl-1,3-dihydro-2H-benzimidazole-2-thione. The molecular structures of the solvated adducts, {[Tm(Bu(t)Benz)]Na(THF)}2(μ-THF)2 and [Tm(MeBenz)]K(OCMe2)3, have been determined by X-ray diffraction, which demonstrates that the [Tm(R)] ligands in these complexes adopt different coordination modes to that in {[Tm(MeBenz)]Na}2(μ-THF)3. Specifically, while the [Tm(MeBenz)] ligand of the sodium complex {[Tm(MeBenz)]Na}2(μ-THF)3 adopts a κ(3)-S3 coordination mode, the potassium complex [Tm(MeBenz)]K(OCMe2)3 adopts a most uncommon inverted κ(4)-S3H coordination mode in which the potassium binds to all three sulfur donors and the hydrogen of the B-H group in a linear KH-B manner. Furthermore, the [Tm(Bu(t)Benz)] ligand of {[Tm(Bu(t)Benz)]Na(THF)}2(μ-THF)2 adopts a κ(3)-S2H coordination mode, thereby demonstrating the flexibility of this ligand system. The monovalent thallium compounds, [Tm(MeBenz)]Tl and [Tm(Bu(t)Benz)]Tl, have been obtained via the corresponding reactions of [Tm(MeBenz)]Na and [Tm(Bu(t)Benz)]Na with TlOAc. X-ray diffraction demonstrates that the three sulfur donors of the [Tm(RBenz)] ligands of both [Tm(MeBenz)]Tl and [Tm(Bu(t)Benz)]Tl chelate to thallium. This coordination mode is in marked contrast to that in other [Tm(R)]Tl compounds, which exist as dinuclear molecules wherein two of the sulfur donors coordinate to different thallium centers. As such, this observation provides further evidence that benzannulation promotes κ(3)-S3 coordination in this system.

2. Intermetallic compounds with lanthanides

International Nuclear Information System (INIS)

Elemans, J.B.A.A.

1975-01-01

Theoretical considerations are given concerning the structures of intermetallic compounds of the lanthanides and thorium (R) on the one hand, and with Fe, Co or Ni (M) on the other. They all derive from the parent composition RM 5 with the CaCu 5 hexagonal structure. This consists of alternate layers in which the M atoms are distinguished as M 1 and M 2 . The other compounds whose structures are studied are obtained by systematic replacement of R by M, or vice versa. In the first type, every third R is replaced by two M's yielding R 2 M 17 compounds. The substitution may be truly random or structured in two ways: so that either the hexagonal structure is maintained or that it is converted into a rhombihedral one. In the second type, one M (in a M 1 position) out of every five is replaced by one R, giving rise to RM 2 compounds which form Laves phases. In the third type, the M 1 's are replaced by R's, resulting in compounds RM 3 . In the fourth type, every third M is replaced by R, yielding R 2 M 7 compounds. With M = Co and R a light lanthanide, the compounds are ferromagnets; with R yttrium, thorium, or a heavy lanthanide, they are ferrimagnets. The preparation of the compounds in an arc-melting apparatus under an Ar-atmosphere followed by annealing is described

Crystal structure and spectroscopic analysis of a new oxalate-bridged MnII compound: catena-poly[guanidinium [[aquachloridomanganese(II]-μ2-oxalato-κ4O1,O2:O1′,O2′] monohydrate

Directory of Open Access Journals (Sweden)

Hiba Sehimi

2016-05-01

Full Text Available As part of our studies on the synthesis and the characterization of oxalate-bridged compounds M–ox–M (ox = oxalate dianion and M = transition metal ion, we report the crystal structure of a new oxalate-bridged MnII phase, {(CH6N3[Mn(C2O4Cl(H2O]·H2O}n. In the compound, a succession of MnII ions (situated on inversion centers adopting a distorted octahedral coordination and bridged by oxalate ligands forms parallel zigzag chains running along the c axis. These chains are interconnected through O—H...O hydrogen-bonding interactions to form anionic layers parallel to (010. Individual layers are held together via strong hydrogen bonds involving the guanidinium cations (N—H...O and N—H...Cl and the disordered non-coordinating water molecule (O—H...O and O—H...Cl, as well as by guanidinium π–π stacking. The structural data were confirmed by IR and UV–Visible spectroscopic analysis.

A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

Energy Technology Data Exchange (ETDEWEB)

Li, Xiu-Hua, E-mail: xhli.univ@gmail.com [College of Chemistry and Chemical Engineering, Fujian Normal University, Fuzhou, 350117 Fujian (China); Zhang, Qi [School of Life Science, Changchun Normal University, Changchun, 130032 Jilin (China); Hu, Ping [Southampton Management School, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)

2014-10-15

A multifunctional homochiral coordination polymer, [Co(H{sub 2}O)(BDC)(4,4′-BPY)]∙3H{sub 2}O (1) (H{sub 2}BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions.

A multi-functional coordination polymer coexisting spontaneous chirality resolution and weak ferromagnetism

International Nuclear Information System (INIS)

Li, Xiu-Hua; Zhang, Qi; Hu, Ping

2014-01-01

A multifunctional homochiral coordination polymer, [Co(H 2 O)(BDC)(4,4′-BPY)]∙3H 2 O (1) (H 2 BDC=1,2-benzenedicarboxylate and 4,4′-BPY=4,4′-bipyridine), has been successfully isolated from Co(II) ions and mixed ligands (1,2-benzenedicarboxylate and 4,4′-bipyridine). Complex 1, which exhibits spontaneous chirality resolution and weak ferromagnetism, is built by chiral helices interconnected via end-to-end 4,4′-BPY bridges into a two-dimensional (2D) layer structure. - Graphical abstract: A 2D cobalt coordination polymer compound showing spontaneous chirality resolution and weak ferromagnetism. - Highlights: • A new 2D cobalt mix-ligand coordination polymer complex has been synthesized. • The cobalt coordination polymer complex shows spontaneous chirality resolution in solid state. • The cobalt coordination polymer complex displays dominant and weak intrachain ferromagnetic interactions

Three luminescent d{sup 10} metal coordination polymers assembled from a semirigid V-shaped ligand with high selective detecting of Cu{sup 2+} ion and nitrobenzene

Energy Technology Data Exchange (ETDEWEB)

Wu, Wei-Ping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Institute of Functional Materials, College of Chemistry and Pharmaceutical Engineering, Sichuan University of Science & Engineering, Zigong 643000 (China); Liu, Ping; Liang, Yu-Tong; Cui, Lin; Xi, Zheng-Ping [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China); Wang, Yao-Yu, E-mail: wyaoyu@nwu.edu.cn [Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of the Ministry of Education, Shaanxi Key Laboratory of Physico-Inorg. Chem., College of Chemistry & Materials Science, Northwest University, Xi’an 710069 (China)

2015-08-15

Three 2D luminescent coordination polymers with helical frameworks, [ZnL{sub 2}]{sub n} (1) and ([ML{sub 2}]·(H{sub 2}O)){sub n} (M=Zn (2), Cd (3)) (HL=4-((2-methyl-1 H-imidazol-1-yl)methyl)benzoic acid), have been assembled under hydro(solvo)thermal conditions. Complex 1 is in chiral space group and displays a rare 2D→2D 2-fold parallel interpenetrated layer network with two types of chiral double helixes. Interestingly, the single crystal structure analyses indicate the coexistence of enantiomers la and 1b in one pot, while the bulk crystallization of 1 are racemic mixtures based on the CD measurement. 2 and 3 are isostructural, in the structure, there are two kinds of 2D chiral helical-layers which stack in an -ABAB- sequence leading to the overall structure are mesomer and achiral. All compounds display intense luminescence in solid state at room temperature with high chemical and thermal stability. More importantly, 1 has been successfully applied in the detection of Cu{sup 2+} ions in aqueous media and nitrobenzene and the probable detecting mechanism was also discussed. - Graphical abstract: Three luminescent d{sup 10} metal coordination polymers with helical-layer based on 4-((2-methyl-1H-imidazol-1-yl)methyl)benzoic acid have been obtained. Compound 1 shows high selective detecting for Cu{sup 2+} ion in aqueous and nitrobenzene. - Highlights: • Three coordination polymers with chiral helical-layer have been obtained. • 1 Can luminescent detect Cu{sup 2+} ion in aqueous media and nitrobenzene. • Racemic mixture or mesomer compounds can be obtained by controlling the reaction conditions.

Preparation of Ultra-Fine Nickel Manganite Powders and Ceramics by a Solid-State Coordination Reaction

NARCIS (Netherlands)

Fang, Dao-lai; Wang, Zhongbing; Wang, Zhichun; Yang, Pinghua; Liu, W.; Liu, Wei; Winnubst, Aloysius J.A.; Chen, Chusheng

2006-01-01

A solid-state coordination reaction was adopted to prepare negative temperature coefficient ceramics. A mixed oxalate NiMn2(C2O4)3·6H2O, a coordination compound, was synthesized by milling a mixture of nickel acetate, manganese acetate, and oxalic acid for 5 h at room temperature. An ultrafine

Copper(II) and zinc(II) as metal-carboxylate coordination complexes based on (1-methyl-1H-benzo[d]imidazol-2-yl) methanol derivative: Synthesis, crystal structure, spectroscopy, DFT calculations and antioxidant activity

Science.gov (United States)

Benhassine, Anfel; Boulebd, Houssem; Anak, Barkahem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Bencharif, Mustapha; Belfaitah, Ali

2018-05-01

This work presents a combined experimental and theoretical study of two new metal-carboxylate coordination compounds. These complexes were prepared from (1-methyl-1H-benzimidazol-2-yl)methanol under mild conditions. The structures of the prepared compounds were characterized by single-crystal X-ray analysis, FTIR and UV-Vis spectroscopy. In the Cupper complex, the Cu(II) ion is coordinated by two ligands, which act as bidentate chelator through the non-substituted N and O atoms, and two carboxylicg oxygen atoms, displaying a hexa-coordinated compound in a distorted octahedral geometry, while in the Zinc complex the ligand is ligated to the Zn(II) ion in monodentate fashion through the N atom, and the metal ion is also bonded to carboxylic oxygen atoms. The tetra-coordinated compound displays a distorted tetrahedral shape. The density functional theory calculations are carried out for the determination of the optimized structures. The electronic transitions and fundamental vibrational wave numbers are calculated and are in good agreement with experimental. In addition, the ligand and its Cu(II) and Zn(II) complexes were screened and evaluated for their potential as DPPH radical scavenger.

An unprecedented extended architecture constructed from a 2-D interpenetrating cationic coordination framework templated by SiW12O404- anion

International Nuclear Information System (INIS)

Wang Xiuli; Lin Hongyan; Bi Yanfeng; Chen Baokuan; Liu Guocheng

2008-01-01

A novel inorganic-organic hybrid compound based on polyoxometalates (POMs) and organic ligand formulated as [Cu 2 (bpp) 4 (H 2 O) 2 ](SiW 12 O 40 )∼6H 2 O (1) [bpp=1,3-bis(4-pyridyl)propane], was hydrothermally synthesized and structurally characterized by elemental analysis, single-crystal X-ray diffraction analysis, IR, TG, and cyclic voltammetry. Crystal data for 1: Orthorhombic, Pbcn, a=23.0085(19) A, b=14.6379(12) A, c=23.6226(19) A, V=7956.0(11) A 3 , Z=4, Dc=3.315 g cm -3 , and R(final)=0.0826. X-ray diffraction study reveals that compound 1 was the first interpenetrating network of 2-D metal-organic cationic coordination framework [Cu 2 (bpp) 4 (H 2 O) 2 ] n 4n+ , in which Keggin-type anions SiW 12 O 40 4- has been used as a non-coordinating anionic template. The electrochemical property of 1-bulk modified carbon paste electrode (1-CPE) has been studied, and the results indicate that 1-CPE has good electrocatalytic activities toward the reduction of nitrite in 1 M H 2 SO 4 aqueous solution. - Graphical abstract: Compound [Cu 2 (bpp) 4 (H 2 O) 2 ](SiW 12 O 40 )∼6H 2 O (1) represents the first 2-D interpenetrating cationic metal-organic frameworks (MOFs) templated by Keggin-type anions. These MOF layers are stacked together along the crystallographic c axis exactly to construct large cubic-like channels (with dimensions of 12.3x13.6 A) occupied by SiW 12 O 40 4- clusters

Preparation of PbS and PbO nanopowders from new Pb(II)(saccharine) coordination polymers

International Nuclear Information System (INIS)

Aslani, Alireza; Musevi, Seyid Javad; Şahin, Ertan; Yilmaz, Veysel T.

2014-01-01

Highlights: • The complex of compounds “[Pb(H 2 O)(μ-OAc)(μ-sac)] n ” are synthesized at nano and bulk size structurally diverse and show interesting three-dimensional coordination polymers. • Reduction of the particle size of the coordination polymers to a few dozen nanometers results in lower thermal stability when compared to the single crystalline samples. • This study demonstrates that the metal–organic framework may be suitable precursors for the preparation of nanoscale materials with interesting morphologies. - Abstract: Nanopowders and single crystal of new Pb(II) three-dimensional coordination polymer, [Pb(H 2 O)(μ-OAc)(μ-sac)] n “PASAC” were synthesized by a sonochemical and branched tube methods (Yılmaz et al., Z. Anorg. Allg. Chem. 629 (2003) 172). The new nano-structures of Pb(II) coordination polymer were characterized by X-ray crystallography analysis, scanning electron microscopy (SEM), X-ray powder diffraction (XRD), surface analysis (BET), and IR spectroscopy. The crystal structure of these compounds consists of three-dimensional polymeric units. The thermal stability of compounds was studied by thermal gravimetric analysis (TGA) and differential thermal analyses (DTA). PbS and PbO nano-structures were obtained by calcinations of the nano-structures of this coordination polymer at 600 °C

Benzannulated Tris(2-mercapto-1-imidazolyl)hydroborato Ligands: Tetradentate κ4–S3H Binding and Access to Monomeric Monovalent Thallium in an [S3] Coordination Environment

Science.gov (United States)

Rong, Yi; Palmer, Joshua H.; Parkin, Gerard

2013-01-01

The benzannulated tris(mercaptoimidazolyl)borohydride sodium complex, [TmButBenz]Na, has been synthesized via the reaction of NaBH4 with 1-tert-butyl-1,3-dihydro-2H-benzimidazole-2-thione, while [TmMeBenz]K has been synthesized via the reaction of KBH4 with 1-methyl-1,3-dihydro-2H-benzimidazole-2-thione. The molecular structures of the solvated adducts, {[TmButBenz]Na(THF)}2(μ-THF)2 and [TmMeBenz]K(OCMe2)3, have been determined by X-ray diffraction, which demonstrates that the [TmR] ligands in these complexes adopt different coordination modes to that in {[TmMeBenz]Na}2(μ-THF)3. Specifically, while the [TmMeBenz] ligand of the sodium complex {[TmMeBenz]Na}2(μ-THF)3 adopts a κ3-S3 coordination mode, the potassium complex [TmMeBenz]K(OCMe2)3 adopts a most uncommon inverted κ4-S3H coordination mode in which the potassium binds to all three sulfur donors and the hydrogen of the B–H group in a linear K•••H–B manner. Furthermore, the [TmButBenz] ligand of {[TmButBenz]Na(THF)}2(μ-THF)2 adopts a κ3-S2H coordination mode, thereby demonstrating the flexibility of this ligand system. The monovalent thallium compounds, [TmMeBenz]Tl and [TmButBenz]Tl, have been obtained via the corresponding reactions of [TmMeBenz]Na and [TmButBenz]Na with TlOAc. X-ray diffraction demonstrates that the three sulfur donors of the [TmRBenz] ligands of both [TmMeBenz]Tl and [TmButBenz]Tl chelate to thallium. This coordination mode is in marked contrast to that in other [TmR]Tl compounds, which exist as dinuclear molecules wherein two of the sulfur donors coordinate to different thallium centers. As such, this observation provides further evidence that benzannulation promotes κ3-S3 coordination in this system. PMID:24201311

Room temperature synthesis of a Zn(II) metal-organic coordination polymer for dye removal

Energy Technology Data Exchange (ETDEWEB)

Abbasi, Alireza, E-mail: aabbasi@khayam.ut.ac.ir [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Gharib, Maniya; Najafi, Mahnaz [School of Chemistry, College of Science, University of Tehran, Tehran (Iran, Islamic Republic of); Janczak, Jan [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, PO Box 1410, 50-950 Wrocław (Poland)

2016-03-15

A new one-dimensional (1D) coordination polymer, [Zn(4,4′-bpy)(H{sub 2}O){sub 4}](ADC)·4H{sub 2}O (1) (4,4′-bpy=4,4′-bipyridine and H{sub 2}ADC=acetylenedicarboxylic acid), was synthesized at room temperature. The crystal structure of the coordination polymer was determined by single-crystal X-ray diffraction analysis. Compound 1 was also characterized by FT-IR, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The catalytic activity of 1 was evaluated in the color removal of Bismarck brown as a representative of dye pollutant in water under mild conditions. Coordination polymer 1 exhibited good catalytic activity and stability in the decolorization of Bismarck brown and could be easily recovered and reused for at least three cycles. - Graphical abstract: A new 1D coordination polymer as catalyst for the degradation of Bismarck brown aqueous solution. - Highlights: • A 1D coordination polymer has been synthesized at room temperature. • The prepared compound was utilized for color removal of Bismarck brown dye. • Good catalytic activity and stability in the dye decolorization has been found.

Magnetic Study of the Novel Polynuclear Compound [Cu(II)(6-Mercaptopurinolate 2-)] n

Science.gov (United States)

Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero, Roberto

1997-08-01

Chemical reactions between Cu(II) and 6-mercaptopurine, both in aqueous and in methanolic media, yield the novel amorphous polynuclear compound [Cu(II)(6-mercaptopurinolate)2-]n, which is also obtained from diverse Cu(II)-heterocyclic ligand competitive reactions. The kinetic and thermodynamic stabilities associated with the formation of this compound are inferred as remarkable. The spectroscopic data let us suggest the involvement of the exocyclic S(6) donor site and the N atoms in the imidazolic moiety of the deprotonated heterocyclic ligand in the coordination to Cu(II) atoms, forming a distorted bidimensional metallic network. The magnetic studies show the existence of very weak antiferromagnetic coupling in the solid sample. This system represents the first example of a 1 : 1 metal : 6-mercaptopurinolate2-system with ad-type open shell metallic center. The magnetic study carried out also represents the first example of magnetic characterization for this type of polynuclear Cu(II) systems with the dianionic 6-mercaptopurine ligand.

Reactivity of the Donor-Stabilized Silylenes [iPrNC(Ph)NiPr]2 Si and [iPrNC(NiPr2 )NiPr]2 Si: Activation of CO2 and CS2.

Science.gov (United States)

Mück, Felix M; Baus, Johannes A; Nutz, Marco; Burschka, Christian; Poater, Jordi; Bickelhaupt, F Matthias; Tacke, Reinhold

2015-11-09

Activation of CO2 by the bis(amidinato)silylene 1 and the analogous bis(guanidinato)silylene 2 leads to the structurally analogous six-coordinate silicon(IV) complexes 4 (previous work) and 8, respectively, the first silicon compounds with a chelating carbonato ligand. Likewise, CS2 activation by silylene 1 affords the analogous six-coordinate silicon(IV) complex 10, the first silicon compound with a chelating trithiocarbonato ligand. CS2 activation by silylene 2, however, yields the five-coordinate silicon(IV) complex 13 with a carbon-bound CS2 (2-) ligand, which also represents an unprecedented coordination mode in silicon coordination chemistry. Treatment of the dinuclear silicon(IV) complexes 5 and 6 with CO2 also affords the six-coordinate carbonatosilicon(IV) complexes 4 and 8, respectively. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rare earth niobate coordination polymers

Science.gov (United States)

Muniz, Collin N.; Patel, Hiral; Fast, Dylan B.; Rohwer, Lauren E. S.; Reinheimer, Eric W.; Dolgos, Michelle; Graham, Matt W.; Nyman, May

2018-03-01

Rare-earth (RE) coordination polymers are infinitely tailorable to yield luminescent materials for various applications. Here we described the synthesis of a heterometallic rare-earth coordination compound ((CH3)2SO)3(RE)NbO(C2O4)3((CH3)2SO) = dimethylsulfoxide, DMSO, (C2O2= oxalate), (RE=La, Ce, Pr, Nd, Sm, Eu, Gd, Tb). The structure was obtained from single crystal X-ray diffraction of the La analogue. The Nb˭O and DMSO terminal-bonding character guides assembly of an open framework structure with noncentrosymmetric RE-coordination geometry, and large spacing between the RE centers. A second structure was observed by PXRD for the smaller rare earths (Dy, Ho, Er, Yb); this structure has not yet been determined. The materials were further characterized using FTIR, and photoluminescence measurements. Characteristic excitation and emission transitions were observed for RE = Nd, Sm, Eu, and Tb. Quantum yield (QY) measurements were performed by exciting Eu and Tb analoges at 394 nm (QY 66%) and 464 nm (QY 71%) for Eu; and 370 nm (QY=40%) for Tb. We attribute the high QY and bright luminescence to two main structure-function properties of the system; namely the absence of water in the structure, and absence of concentration quenching.

A study on superoxide dismutase activity of some model compounds.

Science.gov (United States)

Liao, Z; Liu, W; Liu, J; Jiang, Y; Shi, J; Liu, C

1994-08-15

The synthesis and characteristics of a binuclear ligand N,N,N',N'-tetrakis (2'-benzimidazolyl methyl)-1,4-diethylene amino glycol ether (EGTB) and its series of coordination compounds containing copper(II), iron(III), and manganese(II) with and without exogenous bridging ligand which was imidazolate ion (Im-), bipyridine (bpy), or 1,10-phenanthroline (phen) are reported. Depending on the redox potentials by cyclic voltammetry, the coordination compounds can act as catalysts for the dismutation of superoxide radicals (O2-). The detection of the rate constant of the reaction of superoxide ion with nitroblue tetrazolium (NBT) which is inhibited by superoxide dismutase (SOD) and its model compounds of the EGTB system has been performed by a modified illumination method. The rate constants kQ of the catalytic dismutation have been obtained.

Synthesis and characterization of diphenyltin (IV) dithiocarbamate compounds

International Nuclear Information System (INIS)

Amirah Faizah Abdul Muthalib; Ibrahim Baba; Yang Farina; Mohd Wahid Samsudin

2011-01-01

Ten compounds of diphenyltin(IV) with N-dialkyl dithiocarbamate were successfully prepared using in situ methods. Elemental analysis data (C, H, N and S) showed an agreement with the general formula of (C 6 H 5 ) 2 Sn[S 2 CNR 1 R 2 ] (R 1 = CH 3 , C 2 H 5 , C 7 H 7 ; R 2 = C 2 H 5 , C 4 H 9 , C 6 H 1 1, iC 3 H 7 , C 7 H 7 ). The structures of these compounds have been examined by infrared spectroscopy, ultraviolet, 1 H, 13 C and 119 Sn NMR spectroscopy and X-ray crystallography. The infrared spectra of these compounds showed three important peaks for v(C...N), v(C...S) and v(C...S) bands that appeared in the region of 1474 -1499, 969 - 995 and 324 - 335 cm -1 respectively. Data for 13 C NMR spectroscopy showed an important peak in the region of 198 - 200 ppm that corresponded to the NCS 2 group. Single crystal X-ray diffraction studies showed (C 6 H 5 ) 2 Sn[S 2 CN(C 2 H 5 )(CH 3 )] 2 (1) is six coordinated and adopted a monoclinic system with space group C2/c, while (C 6 H 5 ) 2 SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] (2) is five coordinated, crystallized in monoclinic system with space group Pb 1 /n. Meanwhile, six coordinated (C 6 H 5 ) 2 Sn[S 2 CN(CH 3 )(iC 3 H 7 )] 2 (3) adopted a orthorhombic system with a space group Pbcn. (author)

Coordination compounds of cobalt(II), nickel(II), copper(II), and zinc(II) with pantothenic acid

Energy Technology Data Exchange (ETDEWEB)

Shabilalov, A.A.; Yunuskhodzhaev, A.N.; Khodzhaev, O.F.; Azizov, M.A.

1986-11-01

The compounds Ni(PANA - H)/sub 2/ x 4H/sub 2/O (PANA stands for pantothenic acid, and - H indicates a deprotonated ligand), Cu(PANA - H)/sub 2/ x 2H/sub 2/O, Zn(PANA - H)/sub 2/ x H/sub 2/O, Co(PANA - H)Cl x H/sub 2/O, and Ni(PANA - H)Cl x 3H/sub 2/O have been synthesized on the basis of pantothenic acid and Co(II), Ni(II), Cu(II), and Zn(II) salts in aqueous media. The compounds have been identified by elemental and x-ray diffraction analysis. Some physicochemical properties (solubility, melting point, molar conductivity) of the compounds obtained have been studied. The structure of the compounds isolated has been established on the basis of an analysis of their IR, ESR, and electronic spectra, as well as derivatograms.

Potassium (1-methoxycarbonyl-2-methylprop-2-en-2-ylideneazinate

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Cédric Reuter

2010-04-01

Full Text Available In the title compound, K+·C6H8NO4−, the K+ cations have a coordination number of seven and are surrounded by four bidentate azinate anions. The methylene groups of the anions are always directed towards the coordinated potassium cations. The N—C—C—C torsion angle is 101.2 (2°. The orthogonal non-conjugated nature of the salt confirms the supposed geometry and reactivity of this compound.

Ruthenium (3) coordination compounds with ethylenediamine-N,N,N',N'-tetramethylphosphonic acid

International Nuclear Information System (INIS)

Ezerskaya, N.A.; Buj Kuang Ki; Shubochkin, L.K.

1987-01-01

In the process of interaction of K 2 Ru(H 2 O)Cl 5 with ethylenediamine-N,N,N',N'-tetramethylphosphonic acid (H 8 EDTP) Ru 3 mono-, bi- and trinuclear complexonates are synthesized. On the basis of IR and X-ray electron spectroscopy and potentiometry suppositions are made on the way of ligand (EDTP, Cl - , H 2 O) coordination. Ru 3 complexonates are characterized using spectrophotometry, polarography, conductometry. Thermal decomposition of the complexonates is studied

Crystal Structures and Physical Properties of Ag(I) Coordination Polymers with Unsymmetrical Dipyridyl Ligand

International Nuclear Information System (INIS)

Lee, Eunji; Ryu, Hyunsoo; Park, Kimin

2013-01-01

Three Ag(I) coordination polymers with the formula [Ag(L)]·(X)·(DMSO) n (X = ClO 4 (1), BF 4 (2), and PF 6 (3), and L = dipyridyl ligand) were prepared and characterized fully their structures. All three compounds are isostructures and stable 2-D honeycomb type coordination polymers, in which 1-D zigzag chains with -(Ag-L)- motif are linked by the argentophilic interactions and the π···π stacking interactions between pyridine rings. The investigation on photophysical properties of all compounds shows that the nature of emission can be attributed to the metal-to-ligand charge transfer as well as the formation of the polymeric structures with restriction of the flexibility of the free ligand. Based on the present solid state results, further investigation on the development and characterization of new coordination polymers using flexible unsymmetrical ligand is in progress. During last two decades, silver coordination polymers based on dipyridyl type ligands have attracted particular interest because of the various intriguing architectures caused by a variety of coordination geometry of Ag(I) ion as well as their potential applications as functional materials

Synthesis and investigation of aluminium uranium-containing compounds of Al[B5UO6]2[OH]·nH2O (B5=P, As) composition

International Nuclear Information System (INIS)

Chernorukov, N.G.; Sulejmanov, E.V.; Barch, S.V.

2001-01-01

The technique of synthesis of hydroxyuranophosphate and hydroxyuranoarsenate of aluminium is developed. Hydroxyuranophosphates and hydroxyuranoarsenates of aluminium are prepared by reaction of interaction of aqueous solutions of orthophosphoric (orthoarsenic) acid (0.05 mol/l), uranyl nitrate (0.05 mol/l) and aluminium nitrate (0.1 mol/l) at 20 Deg C. Peculiarities of the structure and thermal degradation reactions are studied by the methods of x-ray diffraction, IR spectroscopy, thermography. It is shown that in dependence on outer conditions in the systems Al[PUO 6 ] 2 ·[OH]·nH 2 O and Al[AsUO 6 ] 2 ·[OH]·nH 2 O crystal hydrates with hydrate numbers n=3-11(13) and anhydrous compounds form. The compounds have laminated type of lattice. Two-dimensional layers of [P(As)UO 6 ] ∞ n- are the basis of anion sublattice of these compounds. Aluminium in coordination surrounding of hydroxy groups and water molecules forms cationic sublattice [ru

Synthesis and crystal structures of new complexes of Np(V) glycolate with 2,2'-bipyridine, [NpO2(C10H8N2)(OOC2H2OH)].1.5H2O and [NpO2(C10H8N2)(OOC2H2OH)].2.5H2O

International Nuclear Information System (INIS)

Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.

2009-01-01

Single crystals were prepared, and the structures of two complexes of Np(V) glycolate with 2,2'-bipyridine of the compositions [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)].1.5H 2 O (I) and [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)]2.5H 2 O (II) were studied. The structures of the compounds are based on neptunyl-glycolate chains in which the glycolate anion manifests its complexation ability in different manner. In structure I, the bidentate-bridging anion links the adjacent NpO 2 - cations through the oxygen atoms of the carboxylate group. The neptunyl-glycolate chains of I exhibits the mutual coordination of the NpO 2 - cations acting toward each other simultaneously as ligands and coordinating centers. In compound II, the glycolate anion is bidentately coordinated to one neptunium atom to form a planar five-membered metallocycle [NpOCCO]. The O atom external with respect to the metallocycle is in the coordination environment of the adjacent neptunyl. The nitrogen-containing molecular ligand Bipy is included into the coordination environment of Np. The coordination polyhedron of the Np atoms in both structures is a pentagonal bipyramid in which the average Np-N bond length is 2.666 Aa (I) and 2.596 Aa (II). (orig.)

Monomers, dimers, and trimers of [Au(CN2]− in a Ba(diaza-18-crown-62+ coordination polymer

Directory of Open Access Journals (Sweden)

2009-03-01

Full Text Available The structure of the title compound, poly[triaquatetra-μ-cyanido-tetracyanidobis(1,4,10,13-tetraoxa-7,16-diazacyclooctadecanedibarium(IItetragold(I], [Au4Ba2(CN8(C12H26N2O42(H2O3]n, displays O—H...N hydrogen bonding between water molecules and cyano ligands and an unusual pattern of aurophilic interactions that yields a monomer, dimer, and trimer of [Au(CN2]− within the same crystal structure. In two of the five Au positions, the atom resides on a center of inversion. The overall arrangement is that of a coordination polymer assisted by aurophilic and hydrogen-bonded interactions.

Two novel zinc(II) coordination polymers constructed from in situ amidation ligands

Science.gov (United States)

Yu, Xiao-Yang; Fu, Yao; Fu, Jian-Tao; Xu, Jia-Ning; Luo, Ya-Nan; Yang, Yan-Yan; Qu, Xiao-Shu; Zhang, Jing; Lu, Shu-Lai

2018-04-01

Two novel coordination compounds, [Zn(Hbimh) (H2O)]·H2O (1) and [Zn(Hbimh)]·(4,4ʹ-bpy)0.5 (2) (H3bimh = benzimidazole-5,6-hydrazide, 4,4ʹ-bpy = 4,4ʹ-bipyridine), have been prepared from the hydrothermal in situ amidation cyclization reactions of H3bimdc (H3bimdc = benzimidazole-5,6-dicarboxylic acid) and hydrazine hydrate (N2H4·H2O). Compound 1 exhibits a one-dimensional (1D) hexagon channel structure. Compound 2 is a three-dimensional (3D) framework structure, with 4,4ʹ-bpy fill the channels. We also obtained the ligand H3bimh. The compounds were characterized by IR, PXRD, TGA and elemental analysis. The fluorescence properties in the solid state at room temperature were also investigated.

Joint action coordination in 2½- and 3-year old children

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Marlene eMeyer

2010-12-01

Full Text Available When acting jointly with others, adults can be as proficient as when acting individually. However how young children coordinate their actions with another person and how their action coordination develops during early childhood is not well understood. By means of a sequential button-pressing game, which could be played jointly or individually, the action coordination of 2½- and 3-year-old children was examined. Performance accuracy and variability of response timing were taken as indicators of coordination ability. Results showed substantial improvement in joint action coordination between the age of 2½- and 3, but both age groups performed equally well when acting individually. Interestingly, 3-year-olds performed equally well in the joint and the individual condition, whereas 2½-year-olds did not yet show this adult-like pattern as indicated by less accurate performance in the joint action. The findings suggest that in contrast to 3-year-olds, 2½-year-olds still have difficulties in establishing well-coordinated joint action with an adult partner. Possible underlying cognitive abilities such as action planning and action control are discussed.

Ruthenium (3) coordination compounds with ethylenediamine-N,N,N',N'-tetramethylphosphonic acid

Energy Technology Data Exchange (ETDEWEB)

Ezerskaya, N A; Ki, Buj Kuang; Shubochkin, L K

1987-12-01

In the process of interaction of K/sub 2/Ru(H/sub 2/O)Cl/sub 5/ with ethylenediamine-N,N,N',N'-tetramethylphosphonic acid (H/sub 8/EDTP) Ru/sup 3/ mono-, bi- and trinuclear complexonates are synthesized. On the basis of IR and X-ray electron spectroscopy and potentiometry suppositions are made on the way of ligand (EDTP, Cl/sup -/, H/sub 2/O) coordination. Ru/sup 3/ complexonates are characterized using spectrophotometry, polarography, conductometry. Thermal decomposition of the complexonates is studied.

Synthesis and characterization of five-coordinated indium amidinates

Energy Technology Data Exchange (ETDEWEB)

Riahi, Yasaman

2016-07-29

The focus of this work is synthesis, characterization and exploring the reactivity of new indium amidinate compounds of the type R{sub 2}InX (R = R''NCR'NR''; R' = Ph, R'' = SiMe{sub 3}, iPr, dipp; X = Br, Cl) with the coordination number of five and R{sub 3}In (R = Me{sub 3}SiNCPhNSiMe{sub 3}) with the coordination number of six. By using amidinates as chelating ligands the electron deficiency of indium atom will be resolved. Additionally, by using different substituents the study of the different synthesized indium amidinates has become possible. The selected method for the synthesis allows the carbodiimides to react with organolithium compounds to get the corresponding lithium amidinates. Afterwards the resulting lithium amidinates take part in transmetalation reactions with InBr{sub 3} and InCl{sub 3}. The study of the reactivity of indium amidinate complexes including nucleophilic reactions as well as their reduction were also examined. Beside crystal structure analysis, nuclear magnetic resonance spectroscopy as well as elemental analysis has been applied to characterize the compounds.

Imidazole and Triazole Coordination Chemistry for Antifouling Coatings

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Markus Andersson Trojer

2013-01-01

Full Text Available Fouling of marine organisms on the hulls of ships is a severe problem for the shipping industry. Many antifouling agents are based on five-membered nitrogen heterocyclic compounds, in particular imidazoles and triazoles. Moreover, imidazole and triazoles are strong ligands for Cu2+ and Cu+, which are both potent antifouling agents. In this review, we summarize a decade of work within our groups concerning imidazole and triazole coordination chemistry for antifouling applications with a particular focus on the very potent antifouling agent medetomidine. The entry starts by providing a detailed theoretical description of the azole-metal coordination chemistry. Some attention will be given to ways to functionalize polymers with azole ligands. Then, the effect of metal coordination in azole-containing polymers with respect to material properties will be discussed. Our work concerning the controlled release of antifouling agents, in particular medetomidine, using azole coordination chemistry will be reviewed. Finally, an outlook will be given describing the potential for tailoring the azole ligand chemistry in polymers with respect to Cu2+ adsorption and Cu2+→Cu+ reduction for antifouling coatings without added biocides.

Some high coordination compounds of lanthanides(III derived from N-isonicotinamidosalicyaldimine

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Ram K. Agarwal

2000-12-01

Full Text Available A new series of lanthanide(III nitrates, isothiocyanates and perchlorates coordination complexes of N-isonicotinamidosalicyaldimine (INH-SAL with the general composition LnX3.n(INH-SAL (Ln = La, Pr, Nd, Sm, Gd, Tb or Dy; X = NO3-, n = 2; X = NCS-, n = 2 or 3 and X = ClO4-, n = 4 have been reported. All the complexes were characterized by chemical analyses, conductance, molar weight, magnetic moment measurements, infrared and electronic spectra. IR spectra indicate that the ligand behaves as a neutral N,O-donors. Thermal properties of the complexes have also been studied.

Crystal structures of coordination polymers from CaI2 and proline

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Kevin Lamberts

2015-06-01

Full Text Available Completing our reports concerning the reaction products from calcium halides and the amino acid proline, two different solids were found for the reaction of l- and dl-proline with CaI2. The enantiopure amino acid yields the one-dimensional coordination polymer catena-poly[[aqua-μ3-l-proline-tetra-μ2-l-proline-dicalcium] tetraiodide 1.7-hydrate], {[Ca2(C5H9NO25(H2O]I4·1.7H2O}n, (1, with two independent Ca2+ cations in characteristic seven- and eightfold coordination. Five symmetry-independent zwitterionic l-proline molecules bridge the metal sites into a cationic polymer. Racemic proline forms with Ca2+ cations heterochiral chains of the one-dimensional polymer catena-poly[[diaquadi-μ2-dl-proline-calcium] diiodide], {[Ca(C5H9NO22(H2O2]I2}n, (2. The centrosymmetric structure is built by one Ca2+ cation that is bridged towards its symmetry equivalents by two zwitterionic proline molecules. In both structures, the iodide ions remain non-coordinating and hydrogen bonds are formed between these counter-anions, the amino groups, coordinating and co-crystallized water molecules. While the overall composition of (1 and (2 is in line with other structures from calcium halides and amino acids, the diversity of the carboxylate coordination geometry is quite surprising.

Solvent-Induced Change of Electronic Spectra and Magnetic Susceptibility of Co(II) Coordination Polymer with 2,4,6-Tris(4-pyridyl)-1,3,5-triazine.

Science.gov (United States)

Polunin, Ruslan A; Burkovskaya, Nataliya P; Satska, Juliya A; Kolotilov, Sergey V; Kiskin, Mikhail A; Aleksandrov, Grigory G; Cador, Olivier; Ouahab, Lahcène; Eremenko, Igor L; Pavlishchuk, Vitaly V

2015-06-01

One-dimensional coordination polymer [Co(Piv)2(4-ptz)(C2H5OH)2]n (compound 1, Piv(-) = pivalate, 4-ptz = 2,4,6-tris(4-pyridyl)-1,3,5-triazine) was synthesized by interaction of Co(II) pivalate with 4-ptz. Desolvation of 1 led to formation of [Co(Piv)2(4-ptz)]n (compound 2), which adsorbed N2 and H2 at 78 K as a typical microporous sorbent. In contrast, absorption of methanol and ethanol by 2 at 295 K led to structural transformation probably connected with coordination of these alcohols to Co(II). Formation of 2 from 1 was accompanied by change of color of sample from orange to brown and more than 2-fold decrease of molar magnetic susceptibility (χM) in the temperature range from 2 to 300 K. Resolvation of 2 by ethanol or water resulted in restoration of spectral characteristics and χM values almost to the level of that of 1. χMT versus T curves for 1 and samples, obtained by resolvation of 2 by H2O or C2H5OH, were fitted using a model for Co(II) complex with zero-field splitting of this ion.

The coordination chemistry of macrocyclic ligands II

International Nuclear Information System (INIS)

Klimes, J.; Knoechel, A.; Rudolph, G.

1977-01-01

Compounds of UO 2 (NO 3 ) 2 .6H 2 0 or Th(NO 3 ) 4 .5H 2 0 with five selected crown ethers were prepared according to the method described in Knoeckel et al., Inorg.Nucl.Chem.Lett.; 11:787 (1975). The products were characterized by chemical analysis, NMR, IR and Raman spectroscopy. The results are analyzed and discussed. It is shown that the NO 3 groups remain free after combination, and the H 2 0 groups form the bonds to the polyether. It is concluded that the polyether molecule is attached to two units of UO 2 (NO 3 ) 2 .2H 2 0 (or Th(NO 3 ) 4 .3H 2 0), one each side of the polyether. This would be contrary to the assumption in previous publications, that the U0 2 2+ and Th 4+ ions were coordinated inside the macrocyclic ligand structure. The present hypothesis, however, agrees with a recently published x-ray structure for the uranium compound. In view of the new proposed structure it is suggested that the compounds should be regarded as adducts rather than complexes. (U.K.)

The structures of binary compounds

CERN Document Server

Hafner, J; Jensen, WB; Majewski, JA; Mathis, K; Villars, P; Vogl, P; de Boer, FR

1990-01-01

- Up-to-date compilation of the experimental data on the structures of binary compounds by Villars and colleagues. - Coloured structure maps which order the compounds into their respective structural domains and present for the first time the local co-ordination polyhedra for the 150 most frequently occurring structure types, pedagogically very helpful and useful in the search for new materials with a required crystal structure. - Crystal co-ordination formulas: a flexible notation for the interpretation of solid-state structures by chemist Bill Jensen. - Recent important advances in unders

Strategies, linkers and coordination polymers for high-performance sorbents

Science.gov (United States)

Matzger, Adam J.; Wong-Foy, Antek G.; Lebel, Oliver

2015-09-15

A linking ligand compound includes three bidentate chemical moieties distributed about a central chemical moiety. Another linking ligand compound includes a bidentate linking ligand and a monodentate chemical moiety. Coordination polymers include a plurality of metal clusters linked together by residues of the linking ligand compounds.

Crystal and molecular structure of the coordination compounds of Er3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL21(NO3)2]2[Er(NO3)2(H2O)5]0.333(NO3)2.333 · 2.833H2O and its ethyl substituted derivative [ErL22(NO3)2][Er(NO3)5]0.5 · 0.5H2O

International Nuclear Information System (INIS)

Polyakova, I. N.; Baulin, V. E.; Ivanova, I. S.; Pyatova, E. N.; Sergienko, V. S.; Tsivadze, A. Yu.

2015-01-01

The coordination compounds of Er 3+ with 1-(methoxydiphenylphosphoryl)-2-diphenylphosphorylbenzene [ErL 2 1 (NO 3 ) 2 ] 2 [Er(NO 3 ) 2 (H 2 O) 5 ] 0.333 (NO 3 ) 2.333 · 2.833H 2 O (I) and its ethyl substituted derivative [ErL 2 2 (NO 3 ) 2 ][Er(NO 3 ) 5 ] 0.5 · 0.5H 2 O (II) are synthesized and their crystal structures are studied. I and II contain [ErL 2 (NO 3 ) 2 ] + complex cations of identical composition and close structure. The eight-vertex polyhedron of the Er atom in the shape of a distorted octahedron with two split trans vertices is formed by the O atoms of the phosphoryl groups of L ligands and nitrate anions. L ligands close nine-membered metallocycles. The structures contain spacious channels which are populated differently, namely, by disordered [Er(NO 3 ) 2 (H 2 O) 5 ] + complex cations, NO 3 − anions, and crystallization water molecules in I and disordered [Er(NO 3 ) 5 ] 2− complex anions and crystallization water molecules in II. The IR spectra of I and II are studied

(15)N NMR spectroscopy unambiguously establishes the coordination mode of the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) in Ru(ii) complexes.

Science.gov (United States)

Battistin, Federica; Balducci, Gabriele; Demitri, Nicola; Iengo, Elisabetta; Milani, Barbara; Alessio, Enzo

2015-09-21

We investigated the reactivity of three Ru(ii) precursors -trans,cis,cis-[RuCl2(CO)2(dmso-O)2], cis,fac-[RuCl2(dmso-O)(dmso-S)3], and trans-[RuCl2(dmso-S)4] - towards the diimine linker 2-(2'-pyridyl)pyrimidine-4-carboxylic acid (cppH) or its parent compound 4-methyl-2-(2'-pyridyl)pyrimidine ligand (mpp), in which a methyl group replaces the carboxylic group on the pyrimidine ring. In principle, both cppH and mpp can originate linkage isomers, depending on how the pyrimidine ring binds to ruthenium through the nitrogen atom ortho (N(o)) or para (N(p)) to the group in position 4. The principal aim of this work was to establish a spectroscopic fingerprint for distinguishing the coordination mode of cppH/mpp also in the absence of an X-ray structural characterization. By virtue of the new complexes described here, together with the others previously reported by us, we successfully recorded {(1)H,(15)N}-HMBC NMR spectra at natural abundance of the (15)N isotope on a consistent number of fully characterized Ru(ii)-cppH/mpp compounds, most of them being stereoisomers and/or linkage isomers. Thus, we found that (15)N NMR chemical shifts unambiguously establish the binding mode of cppH and mpp - either through N(o) or N(p)- and can be conveniently applied also in the absence of the X-ray structure. In fact, coordination of cppH to Ru(ii) induces a marked upfield shift for the resonance of the N atoms directly bound to the metal, with coordination induced shifts (CIS) ranging from ca.-45 to -75 ppm, depending on the complex, whereas the unbound N atom resonates at a frequency similar to that of the free ligand. Similar results were found for the complexes of mpp. This work confirmed our previous finding that cppH has no binding preference, whereas mpp binds exclusively through N(p). Interestingly, the two cppH linkage isomers trans,cis-[RuCl2(CO)2(cppH-κN(p))] (5) and trans,cis-[RuCl2(CO)2(cppH-κN(o))] (6) were easily obtained in pure form by exploiting their different

Nomenclature on an inorganic compound

International Nuclear Information System (INIS)

1998-10-01

This book contains eleven chapters : which mention nomenclature of an inorganic compound with introduction and general principle on nomenclature of compound. It gives the description of grammar for nomenclature such as brackets, diagonal line, asterisk, and affix, element, atom and groups of atom, chemical formula, naming by stoichiometry, solid, neutral molecule compound, ion, a substituent, radical and name of salt, oxo acid and anion on introduction and definition of oxo acid, coordination compound like symbol of stereochemistry , boron and hydrogen compound and related compound.

Non-traditional Oxidants in Preparative Coordination Chemistry

Science.gov (United States)

Kukushkin, Vadim Yu; Kukushkin, Yurii N.

1986-10-01

The application of nitrosonium and arenediazonium salts, carbenium, silver(I), and mercury(II) ions, protic acids, and amine oxides as oxidants in preparative coordination chemistry is examined. Specific examples illustrate which problems in the field of the synthesis and reactions of coordination compounds can be solved with the aid of these oxidants. The bibliography includes 158 references.

Highly effective synthesis of a cobalt(ii) metal-organic coordination polymer by using continuous flow chemistry.

Science.gov (United States)

Gong, Chunhua; Zhang, Junyong; Zeng, Xianghua; Xie, Jingli

2016-12-20

The coordination polymer [Co 2 L 4 (H 2 O) 2 ]·CH 3 CN·H 2 O (HL = (E)-2-[2-(4-chlorophenyl)vinyl]-8-hydroxyquinoline) has been achieved with 95% yield by using an Asia flow synthesis system (chip reactor). Compared with the conventional batch-type methods such as diffusion, reflux and solvothermal reactions, higher yielding reactions carried out in a flow reactor have demonstrated that this technique is a powerful strategy to obtain coordination compounds.

Insulin fibrillation: The influence and coordination of Zn2+

DEFF Research Database (Denmark)

Frankær, Christian Grundahl; Sønderby, Pernille; Bang, Maria Blanner

2017-01-01

fibrils has been debated for some years. We have therefore investigated the influence and binding geometry of zinc in fibrillated insulin using extended X-ray absorption fine-structure and X-ray absorption near-edge structure spectroscopy. The results were validated with fibre diffraction, Transmission...... Electron Microscopy and Thioflavin T fluorescence measurements. It is well-known that Zn2+ ions coordinate and stabilize the hexameric forms of insulin. However, this study is the first to show that zinc indeed binds to the insulin fibrils. Furthermore, zinc influences the kinetics and the morphology...... of the fibrils. It also shows that zinc coordinates to histidine residues in an environment, which is similar to the coordination seen in the insulin R6 hexamers, where three histidine residues and a chloride ion is coordinating the zinc....

Synthesis, structure and magnetic properties of cobalt(II) and copper(II) coordination polymers assembled by phthalate and 4-methylimidazole

International Nuclear Information System (INIS)

Baca, S.G.; Malinovskii, S.T.; Franz, Patrick; Ambrus, Christina; Stoeckli-Evans, Helen; Gerbeleu, Nicolae; Decurtins, Silvio

2004-01-01

New coordination polymers [M(Pht)(4-MeIm) 2 (H 2 O)] n (M=Co (1), Cu (2); Pht 2- =dianion of o-phthalic acid; 4-MeIm=4-methylimidazole) have been synthesized and characterized by IR spectroscopy, X-ray crystallography, thermogravimetric analysis and magnetic measurements. The crystal structures of 1 and 2 are isostructural and consist of [M(4-MeIm) 2 (H 2 O)] building units linked in infinite 1D helical chains by 1,6-bridging phthalate ions which also act as chelating ligands through two O atoms from one carboxylate group in the case of 1. In complex 1, each Co(II) atom adopts a distorted octahedral N 2 O 4 geometry being coordinated by two N atoms from two 4-MeIm, three O atoms of two phthalate residues and one O atom of a water molecule, whereas the square-pyramidal N 2 O 3 coordination of the Cu(II) atom in 2 includes two N atoms of N-containing ligands, two O atoms of two carboxylate groups from different Pht, and a water molecule. An additional strong O-H↑··O hydrogen bond between a carboxylate group of the phthalate ligand and a coordinated water molecule join the 1D helical chains to form a 2D network in both compounds. The thermal dependences of the magnetic susceptibilities of the polymeric helical Co(II) chain compound 1 were simulated within the temperature range 20-300 K as a single ion case, whereas for the Cu(II) compound 2, the simulations between 25 and 300 K, were made for a linear chain using the Bonner-Fisher approximation. Modelling the experimental data of compound 1 with MAGPACK resulted in: g=2.6, vertical bar D vertical bar=62 cm -1 . Calculations using the Bonner-Fisher approximation gave the following result for compound 2: g=2.18, J=-0.4 cm -1

Coordinative compounds of molybdenum and vanadium as possible stimulators of extracellular cellulases biosynthesis of micromycetes Penicillium expansum CNMN FD 05 C

International Nuclear Information System (INIS)

Chilochi, A.A.; Tyurina, Zh.P.; Klapko, S.F.; Lablyuk, S.V.; Pasha, L.I.; Bologa, O.A.; Koropchanu, Eh.B.; Rizha, A.P.

2012-01-01

The effect of coordinative compounds of molybdenum and vanadium on the biosynthesis of cellulosolytic enzymatic complex (endoglucanases, celobiohydrolases, β-glucosidases) of the fungal strain Penicillium expansum CNMN FD 05C was investigated. It was established that complexes of molybdenum, which contain amino acids in its composition, have a neutral effect on the activity of endoglucanases, inhibit celobiohydrolases (80-90%) and stimulate the activity of β-glucosidases. Among the most effective stimulators of β-glucosidases synthesis, the complex MoO 2 (ac.ac.)Gly may be mentioned, that increases the enzymatic activity by 47.8-67.0%. This complex can be used to obtain an enzymatic preparation with a high content of β-glucosidases. The metal complex (NH 4 ) 2 VO 3 Gly stimulates the activity of enzymes of the cellulosolytic complex of the fungi Penicillium expansum CNMN FD 05C, increasing the endogluconasic activity by 45%, cellobiohydrolasic by 32% and β-glucosidasic by 40%.

Design and synthesis of four coordination polymers generated from 2,2'-biquinoline-4,4'-dicarboxylate and aromatic bidentate ligands

International Nuclear Information System (INIS)

Ye Junwei; Zhang Ping; Ye Kaiqi; Zhang Hongyu; Jiang Shimei; Ye Ling; Yang Guangdi; Wang Yue

2006-01-01

Four coordination polymers [Zn(bqdc)(phen)] n (1), [Zn(bqdc)(bpy)(H 2 O)] n (2), [Mn(bqdc)(bpy)(H 2 O) 2 ] n (3) and [Mn(bqdc)(phen)(H 2 O) 2 ] n (4) (H 2 bqdc=2,2'-biquinoline-4,4'-dicarboxylic acid, phen=1,10-phenanthroline and bpy=2,2'-bipyridyl) have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. Crystal data for 1: monoclinic system, C2/c, a=14.141(3)A, b=10.021(2)A, c=18.511(4)A, β=103.78(3) o , V=2547.6(9)A 3 , Z=4. Crystal data for 2: monoclinic system, p2 1 /n, a=13.656(3)A, b=10.015(2)A, c=19.127(4)A, β=107.13(7) o , V=2500.1(9)A 3 , Z=4. Crystal data for 3: monoclinic system, C2/c, a=14.5050(8)A, b=15.1932(8)A, c=12.7549(6)A, β=116.8010(11) o , V=2508.9(2)A 3 , Z=4. Crystal data for 4: monoclinic system, C2/c, a=14.1732(17)A, b=16.115(3)A, c=12.809(3)A, β=117.04(3) o , V=2605.7(8)A 3 , Z=4. Single helix-like chains exist in 1. The supramolecular structure of 1 exhibits extended two-dimensional network while 2-4 display extended three-dimensional architectures based on interchain hydrogen bonding and π-π interactions. Compounds 1 and 2 show blue photoluminescence under UV light suggesting that they may be employed to develop luminescent materials. Compounds 3 and 4 show interesting magnetic behaviors

Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

Directory of Open Access Journals (Sweden)

Chengfeng Zhu

2017-03-01

Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties

International Nuclear Information System (INIS)

Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao

2016-01-01

Five new Cd(II) coordination polymers with N-benzoyl-L-glutamic acid (H_2bzgluO) and different N-donor ligands, [Cd(bzgluO)(2,2′-bipy)(H_2O)]_n (1), [Cd(bzgluO)(2,4′-bipy)_2(H_2O)·3H_2O]_n (2), [Cd(bzgluO)(phen)·H_2O]_n (3), [Cd(bzgluO)(4,4′-bipy)(H_2O)]_n (4), [Cd(bzgluO)(bpp)(H_2O)·2H_2O]_n (5) were synthesized (2,2′-bipy=2,2′-bipyridine, 2,4′-bipy=2,4′-bipyridine, phen=1,10-phenanthroline, 4,4′-bipy=4,4′-bipyridine, bpp=1,3-di(4-pyridyl)propane). Compounds 1–2 exhibit a 1D single-chain structure. Compound 1 generates a 2D supramolecular structure via π–π stacking and hydrogen bonding, 3D architecture of compound 2 is formed by hydrogen bonding. Compound 3 features a 1D double-chain structure, which are linked by π–π interactions into a 2D supramolecular layer. Compounds 4-5 display a 2D network structure. Neighboring layers of 4 are extended into a 3D supramolecular architecture through hydrogen bonding. The structural diversity of these compounds is attributed to the effect of ancillary N-donor ligands and coordination modes of H_2bzgluO. Luminescent properties of 1–5 were studied at room temperature. Circular dichroism of compounds 1, 2 and 5 were investigated. - Graphical abstract: Five new Cd(II) metal coordination compounds with H_2bzgluO and different N-donor ligands were synthesized and characterized. Compounds 1, 2 and 3 present 1D structures, compounds 4 and 5 display 2D networks. Results indicate that auxiliary ligands and coordination modes of H_2bzgluO play an important role in governing the formation of final frameworks, and the hydrogen-bonding and π–π stacking interactions contribute the formation of the diverse supramolecular architectures. Furthermore, the different crystal structures influence the emission spectra significantly. - Highlights: • It is rarely reported that complexes prepared with N-benzoyl-L-glutamic acid. • Each complex displays diverse structures and different supramolecular

Syntheses, structures and properties of four 3D microporous lanthanide coordination polymers based on 3,5-pyrazoledicarboxylate and oxalate ligands

International Nuclear Information System (INIS)

Song, Juan; Wang, Ji-Jiang; Hu, Huai-Ming; Wu, Qing-Ran; Xie, Juan; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin

2014-01-01

Four three-dimensional lanthanide coordination polymers with reversible structural interconversions, [Ln 2 (Hpdc) 2 (C 2 O 4 )(H 2 O) 4 ] n ·2nH 2 O [Ln=Sm (1), Eu (2), Tb (3) and Dy (4)], have been synthesized by hydrothermal reactions of lanthanide nitrates with 3,5-pyrazoledicarboxylic (H 3 pdc) and oxalic acids. It is noteworthy that there is an in situ reaction in 1, in which H 3 pdc was decomposed into (ox) 2− with Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. These compounds are isostructural and crystallized in the monoclinic P2 1 /c space group. The Ln(III) ions are eight-coordinated with dodecahedron coordination geometry. These polyhedra are linked by oxalate groups to form 1D zigzag chain, which are further connected by 3,5-pyrazoledicarboxylate to extend similar 3D frameworks with channels along c-axis in 1–4. These coordination polymers display the characteristic emission bands of the Ln(III) ions in the solid state and possess good thermal stabilities. - Graphical abstract: Four 3D microporous lanthanide coordination polymers with reversible structural interconversion have been synthesized. They exhibit characteristic emission bands of the lanthanide ions and possess great thermal stability. - Highlights: • Four lanthanide coordination polymers have been hydrothermal synthesized. • There is an in situ reaction in 1 in which H 3 pdc was decomposed into (ox) 2− with the Cu(II)–Sm(III) synergistic effect under hydrothermal conditions. • TGA and XRD studies reveal that upon hydration–dehydration, compounds 1–4 undergo a reversible structural interconversion process through a cooling-heating cycle. • Compounds 1–4 exhibit characteristic lanthanide-centered luminescence

Synthesis, structural characterization, thermal analysis, and DFT calculation of a novel zinc (II)-trifluoro-β-diketonate 3D supramolecular nano organic-inorganic compound with 1,3,5-triazine derivative

Energy Technology Data Exchange (ETDEWEB)

Mirtamizdoust, Babak, E-mail: babakm.tamizdoust@gmail.com [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Department of Chemistry, Faculty of Science, University of Qom, PO Box 37185-359, Qom, Islamic Republic of Iran (Iran, Islamic Republic of); Ghaedi, Mehrorang [Department of Chemistry, Yasouj University, Yasouj, 75918-74831 (Iran, Islamic Republic of); Hanifehpour, Younes, E-mail: y_hanifehpour@yu.ac.kr [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of); Mague, Joel T. [Department of Chemistry, Tulane University, New Orleans (United States); Joo, Sang Woo, E-mail: swjoo1@gmail.com [School of Mechanical Engineering, WCU Nano Research Center, Yeungnam University, Gyongsan, 712-749 (Korea, Republic of)

2016-10-01

A sonochemical method was used to synthesize a novel nano-structure of a zinc(II) organic-inorganic compound [Zn(dapt){sub 2}(ttfa){sub 2}] (1) [dapt = 2,4-diamino-6-phenyl-1,3,5-triazine and ttfa = 2-thenoyltrifluoroacetonate]. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, elemental analysis, and thermal analysis. The single-crystal X-ray structure shows that 1 is a discrete coordination compound. Strong intra- and intermolecular hydrogen bonds are observed in the structure with the latter forming chains of molecules running parallel to (110). The chains are further extended into a three-dimensional supramolecular structure by intermolecular C−F⋯π interactions between trifluoromethyl and triazine moieties. The coordination number of the zinc(II) ion is six (ZnN{sub 2}O{sub 4}), and the coordination sphere is tetragonally elongated octahedral. The structure of the title complex was optimized by DFT calculations. - Highlights: • A new zinc(II) 3D coordination supramolecular compound was synthesized. • Ultrasound synthesis of nano coordination compound have been reported. • The X-ray crystal structure of the compound is reported.

The potential roles of T-type Ca2+ channels in motor coordination

Directory of Open Access Journals (Sweden)

Young-Gyun ePark

2013-10-01

Full Text Available Specific behavioral patterns are expressed by complex combinations of muscle coordination. Tremors are simple behavioral patterns and are the focus of studies investigating motor coordination mechanisms in the brain. T-type Ca2+ channels mediate intrinsic neuronal oscillations and rhythmic burst spiking, and facilitate the generation of tremor rhythms in motor circuits. Despite substantial evidence that T-type Ca2+ channels mediate pathological tremors, their roles in physiological motor coordination and behavior remain unknown. Here, we review recent progress in understanding the roles that T-type Ca2+ channels play under pathological conditions, and discuss the potential relevance of these channels in mediating physiological motor coordination.

Tris[bis(trimethylsilyl)amido]uranium: Compounds with tri-, tetra-, and penta-valent uranium

International Nuclear Information System (INIS)

Stewart, J.L.

1988-04-01

This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U[N(SiMe 3 ) 2 ] 3 with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me 2 -C 6 H 3 NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe 3 ) 2 bond length with increase in oxidation state is not observed. Reaction of ClU[N(SiMe 3 ) 2 ] 3 and Li[NH(p-tolyl)] yields the uranium (IV) dimer, U 2 [N(SiMe 3 ) 2 ] 4 [μ-N(p-tolyl)] 2 . Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu 3 CO/sup /minus//, t-Bu 2 CHO/sup /minus//, and t-Bu 3 SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox) 3 with alkyllithium reagents leads to isolation of RU(tritox) 3 . The reaction of U(ditox) 4 with MeLi affords the addition product U(ditox) 4 (Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs

Determination of the equilibrium miscibility gap in the Pd-Rh alloy system using metal nanopowders obtained by decomposition of coordination compounds

Energy Technology Data Exchange (ETDEWEB)

Shubin, Yu.V., E-mail: shubin@niic.nsc.ru; Plyusnin, P.E.; Korenev, S.V.

2015-02-15

Highlights: • The Pd-Rh phase diagram has been experimentally reinvestigated. • The true equilibrium was achieved with the two-way approach. • The critical point of the miscibility gap lie at 58 at.% Rh and 820 °C. - Abstract: The Pd-Rh phase diagram has been reinvestigated in the subsolidus region using X-ray diffraction, scanning and transmission electron microscopy. The true equilibrium at the miscibility boundary was achieved with the two-way approach. Nanosized powders of metastable solid solutions and two-phase palladium-rhodium mixtures were used to shorten the time required to equilibrate the system. The initial samples were prepared by decomposition of coordination compounds [Pd(NH{sub 3}){sub 2}Cl{sub 2}], [Rh(NH{sub 3}){sub 5}Cl]Cl{sub 2}, [Pd(NH{sub 3}){sub 4}]{sub 3}[Rh(NO{sub 2}){sub 6}]{sub 2} and [Pd(NH{sub 3}){sub 4}][Rh(NH{sub 3})(NO{sub 2}){sub 5}]. The obtained phase diagram exhibits miscibility gap wider than generally accepted with the critical point of solubility at 58 at.% Rh and 820 °C.

Coordination in Categorical Compositional Distributional Semantics

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Dimitri Kartsaklis

2016-08-01

Full Text Available An open problem with categorical compositional distributional semantics is the representation of words that are considered semantically vacuous from a distributional perspective, such as determiners, prepositions, relative pronouns or coordinators. This paper deals with the topic of coordination between identical syntactic types, which accounts for the majority of coordination cases in language. By exploiting the compact closed structure of the underlying category and Frobenius operators canonically induced over the fixed basis of finite-dimensional vector spaces, we provide a morphism as representation of a coordinator tensor, and we show how it lifts from atomic types to compound types. Linguistic intuitions are provided, and the importance of the Frobenius operators as an addition to the compact closed setting with regard to language is discussed.

2D water layer enclathrated between Mn(II)-Ni(CN)4 coordination frameworks

International Nuclear Information System (INIS)

Ray, Ambarish; Bhowmick, Indrani; Sheldrick, William S.; Jana, Atish Dipankar; Ali, Mahammed

2009-01-01

A [Ni(CN) 4 ] 2- based two-dimensional Mn(II) coordination polymer {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O}, in which the coordination layers are stacked on top of each other sandwiching 2D water layer of boat-shaped hexagonal water clusters has been synthesized. The complex exhibits high thermal decomposition temperature and reversible water absorption, which were clearly demonstrated by thermal and PXRD studies on the parent and rehydrated complex after dehydration. - Abstract: A coordination polymer, {Mn(H 2 O) 2 [NiCN] 4 .4H 2 O} n , showed that the coordination layers are stacked on top of each other sandwiching 2D ice layer of boat-shaped hexagonal water clusters . Display Omitted

Nd2(SeO3)2(SeO4) . 2H2O - a mixed-valence compound containing selenium in the oxidation states +IV and +VI

International Nuclear Information System (INIS)

Berdonosov, P.S.; Dityat'yev, O.A.; Dolgikh, V.A.; Schmidt, P.; Ruck, Michael; Lightfoot, P.

2004-01-01

Pale pink crystals of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O were synthesized under hydrothermal conditions from H 2 SeO 3 and Nd 2 O 3 at about 200 C. X-ray diffraction on powder and single-crystals revealed that the compound crystallizes with the monoclinic space group C 2/c (a = 12.276(1) A, b = 7.0783(5) A, c = 13.329(1) A, β = 104.276(7) ). The crystal structure of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O is an ordered variant of the corresponding erbium compound. Eight oxygen atoms coordinate the Nd III atom in the shape of a bi-capped trigonal prism. The oxygen atoms are part of pyramidal (Se IV O 3 ) 2- groups, (Se VI O 4 ) 2- tetrahedra and water molecules. The [NdO 8 ] polyhedra share edges to form chains oriented along [010]. The selenate ions link these chains into layers parallel to (001). The layers are interconnected by the selenite ions into a three-dimensional framework. The dehydration of Nd 2 (SeO 3 ) 2 (SeO 4 ) . 2H 2 O starts at 260 C. The thermal decomposition into Nd 2 SeO 5 , SeO 2 and O 2 at 680 C is followed by further loss of SeO 2 leaving cubic Nd 2 O 3 . (Abstract Copyright [2004], Wiley Periodicals, Inc.) [de

Efficient tetracycline adsorption and photocatalytic degradation of rhodamine B by uranyl coordination polymer

Science.gov (United States)

Ren, Ya-Nan; Xu, Wei; Zhou, Lin-Xia; Zheng, Yue-Qing

2017-07-01

Two mixed uranyl-cadmium malonate coordination polymers [(UO2)2Cd(H-bipy)2(mal)4(H2O)2]·4H2O 1 and [(UO2)Cd(bipy)(mal)2]·H2O 2 (H2mal = malonic acid, bipy =4,4‧-bipyridine) have been synthesized in room temperature. Compound 1 represents a one-dimensional (1D) chain assembly of Cd(II) ions, uranyl centers and malonate ligands. Compound 2 exhibits a two-dimensional (2D) 2D +2D → 3D polycatenated framework based on inclined interlocked 2D 44 sql grids. The two compounds have been characterized by elemental analysis, IR and UV-vis spectroscopy, thermal analysis, powder X-ray diffraction and photoluminescence spectroscopy. And the ferroelectric property of 2 also has been studied. Moreover, compound 2 exhibits good photocatalytic activity for dye degradation under UV light and is excellent adsorbent for removing tetracycline antibiotics in the aqueous solution.

Coordination polyhedra ThOn in crystal structure

International Nuclear Information System (INIS)

Shevchenko, A.P.; Serezhkin, V.N.; Mikhajlov, Yu.N.

2000-01-01

The environment peculiarities of Th(4) 107 atoms in 93 oxygen-containing compounds were studied using the Voronoi-Dirichlet (VD) polyhedrons. It was determined that in case of high coordination number (CN ≥ 6) of thorium atoms the volume of their VD polyhedrons did not practically depend on CN Th and constituted 11.9 (4) A 3 . The volume of the classical coordination polyhedrons, namely, ThO n , ZrO n and U 4 O n ones, was determined to depend linearly on the coordination number. It was shown that in case CN [ru

Perceptual and Attentional Influences on Continuous 2:1 and 3:2 Multi-Frequency Bimanual Coordination

Science.gov (United States)

Kovacs, Attila J.; Buchanan, John J.; Shea, Charles H.

2010-01-01

Two experiments were conducted to determine if multi-frequency (2:1 and 3:2) coordination between the limbs is enhanced when integrated feedback is provided in the form of Lissajous plots, attention demands are reduced, and attempts to consciously coordinate the limbs are not encouraged. To determine the influence of vision of the limbs, covered…

Structural diversity of a series of terpyridyl carboxylate coordination polymers: Luminescent sensor and magnetic properties

Science.gov (United States)

Yuan, Fei; Yuan, Chun-Mei; Hu, Huai-Ming; Wang, Ting-Ting; Zhou, Chun-Sheng

2018-02-01

Eleven new coordination polymers, [Zn2(ctpy)2(HCOO)2]n·3nH2O (1), [Zn2(ctpy)2(HCOO)2(H2O)2]n·nH2O (2), [Zn2(ctpy)2(H2O)4]n·2n(CH3COO)·nH2O (3), [Zn2(ctpy)2(CH3COO)2]n·nH2O (4), [Zn(ctpy)2]n·nH2O (5), [Zn2(ctpy)2(Hidc)(H2O)2]n(6), [Cd2(ctpy)4]n(7), [Cd2(ctpy)2(Hidc)]n(8), [Co2(ctpy)2(HCOO)2(H2O)2]n·nH2O (9), [Co(ctpy)(DMF)(ox)0.5]n(10), [Co(ctpy)(ox)0.5]n(11) and the closely related compound [Zn(ctpy)(ox)0.5]n·0.5nH2O (12) (Hctpy = 4‧-carboxy-4,2‧:6‧,4‧‧-terpyridine, H2ox = oxalic acid and H3idc = imidazole-4,5-dicarboxylic acid) have been synthesized by hydro(solvo)thermal reaction of 4‧-carboxy-4,2‧:6‧,4‧‧-terpyridine with divalent metal salts and characterized by elemental analysis, IR spectra, single crystal X-ray diffraction. Compounds 1 and 4 have similar structure which demonstrate a two-fold interpenetrating 3D framework with a 3-connected utp topological net, which contains the same number of left and right-handed 21 helical chains. Compounds 2 and 9 are isostructural 2D layer with a 3-connected hcb topological net. Similar to 2, compound 3 also displays a 3-connected 2D hcb topological net. Compounds 5 and 10 are a 2D layer with a 4-connected sql topological net. Compound 6 shows a chiral 2D layer based on a 1D left- or right-handed helical chains, which are further extended into an achiral 2D + 2D→3D supramolecular network by hydrogen bonds with alternately arrangement. Compound 7 features an unusual 2-fold interpenetrating 3D coordination network which exhibits a new intriguing (3,5)-connected binodal topological net with the Schläfli symbol of (52·6)(53·63·73·8). Compound 8 shows a 2D→3D supramolecular structure based on (3,4)-connected 2D bilayers with the Schläfli symbol of (44·62). Compound 11 displays an unusual three-dimensional coordination network which exhibits an intriguing (3,8)-connected binodal new topological net with Schläfli symbol (42·62)2(42·623·83). Compound 12 features a two

Syntheses, structures and luminescence properties of lanthanide coordination polymers with helical character

International Nuclear Information System (INIS)

Zhou Ruisha; Cui Xiaobing; Song Jiangfeng; Xu Xiaoyu; Xu Jiqing; Wang Tiegang

2008-01-01

A series of lanthanide coordination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4), H 2 ip=isophthalic acid, im=imidazole] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been synthesized and characterized by elemental analyses, infrared (IR), ultraviolet-visible-near infrared (UV-Vis-NIR) and single-crystal X-ray diffraction analyses. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 features a 2-D network making of two different kinds of quadruple-helical chains. Compounds 2 and 3 present the characteristic emissions of Pr(III) and Nd(III) ions in NIR region, respectively. Compound 4 shows sensitized luminescence of Dy(III) ions in visible region. - Graphical abstract: A series of lanthanide coodination polymers, (Him) n [Ln(ip) 2 (H 2 O)] n [Ln=La(1), Pr(2), Nd(3) and Dy(4)] and [Y 2 (ip) 3 (H 2 O) 2 ] n .nH 2 O (5), have been reported. The isostructural compounds 1-4 possess 3-D structures with three different kinds of channels. Compound 5 displays a 2-D network making of two kinds of quadruple-helical chains. Display Omitted

"Low-coordinate" 1,2-oxaphosphetanes - a new opportunity in coordination and main group chemistry.

Science.gov (United States)

Kyri, A W; Gleim, F; García Alcaraz, A; Schnakenburg, G; Espinosa Ferao, A; Streubel, R

2018-05-17

While 1,2σ5λ5-oxaphosphetanes are well known intermediates from the Wittig-reaction, no 1,2σ3λ3-oxaphosphetanes have been described, so far. Herein, we present the first synthesis of 1,2σ3λ3-oxaphosphetanes derived from their κP-Mo(CO)5 complexes and first investigations towards metal coordination and P-oxidation. Bonding, ring strain energy and potential retro-[2+2] cycloaddition reactions of the 1,2-oxaphosphetane ring were studied by DFT methods.

An alkaline tin(II) halide compound Na{sub 3}Sn{sub 2}F{sub 6}Cl: Synthesis, structure, and characterization

Energy Technology Data Exchange (ETDEWEB)

Gong, Pifu [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Luo, Siyang [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Huang, Qian; Yang, Yi [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiang, Xingxing [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Liang, Fei [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Chen, Chuangtian [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); Lin, Zheshuai, E-mail: zslin@mail.ipc.ac.cn [Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China)

2017-04-15

A new alkali tin(II) halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. This compound crystallizes trigonally in space group of R-3c (167), and processes a zero-dimensional (0D) structure consisted of Na{sup +} cations, Cl{sup −} anions and the isolated [SnF{sub 3}]{sup -} trigonal pyramids in which the stereochemically active 5s{sup 2} lone pair electrons are attached to the Sn{sup 2+} cations. Interestingly, the [SnF{sub 3}]{sup −} trigonal pyramids are parallel arranged in the a-b plane, while oppositely arranged in line with rotation along the c- axis. Moreover, the energy bandgap, thermal stability and electronic structure of Na{sub 3}Sn{sub 2}F{sub 6}Cl are characterized and the results reveal that this compound has and indirect bandgap of 3.88 eV and is stable under 270 °C. - Graphical abstract: A zero-dimensional alkaline tin halide compound, Na{sub 3}Sn{sub 2}F{sub 6}Cl, is synthesized by hydrothermal method. Interestingly, both the anions and cations coordinating polyhedra exhibit order arranged with the [SnF{sub 3}]{sup -} trigonal pyramids rotating along the c- axis.

Normal co-ordinate analysis of 1, 8-dibromooctane

Science.gov (United States)

Singh, Devinder; Jaggi, Neena; Singh, Nafa

2010-02-01

The organic compound 1,8-dibromooctane (1,8-DBO) exists in liquid phase at ambient temperatures and has versatile synthetic applications. In its liquid phase 1,8-DBO has been expected to exist in four most probable conformations, with all its carbon atoms in the same plane, having symmetries C 2h , C i , C 2 and C 1 . In the present study a detailed vibrational analysis in terms of assignment of Fourier transform infrared (FT-IR) and Raman bands of this molecule using normal co-ordinate calculations has been done. A systematic set of symmetry co-ordinates has been constructed for this molecule and normal co-ordinate analysis is carried out using the computer program MOLVIB. The force-field transferred from already studied lower chain bromo-alkanes is subjected to refinement so as to fit the observed infrared and Raman frequencies with those of calculated ones. The potential energy distribution (PED) has also been calculated for each mode of vibration of the molecule for the assumed conformations.

Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties

Energy Technology Data Exchange (ETDEWEB)

Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua, E-mail: songhuihua@mail.hebtu.edu.cn; Yu, Hai-Tao, E-mail: haitaoyu@mail.hebtu.edu.cn

2016-01-15

Five new Cd(II) coordination polymers with N-benzoyl-L-glutamic acid (H{sub 2}bzgluO) and different N-donor ligands, [Cd(bzgluO)(2,2′-bipy)(H{sub 2}O)]{sub n} (1), [Cd(bzgluO)(2,4′-bipy){sub 2}(H{sub 2}O)·3H{sub 2}O]{sub n} (2), [Cd(bzgluO)(phen)·H{sub 2}O]{sub n} (3), [Cd(bzgluO)(4,4′-bipy)(H{sub 2}O)]{sub n} (4), [Cd(bzgluO)(bpp)(H{sub 2}O)·2H{sub 2}O]{sub n} (5) were synthesized (2,2′-bipy=2,2′-bipyridine, 2,4′-bipy=2,4′-bipyridine, phen=1,10-phenanthroline, 4,4′-bipy=4,4′-bipyridine, bpp=1,3-di(4-pyridyl)propane). Compounds 1–2 exhibit a 1D single-chain structure. Compound 1 generates a 2D supramolecular structure via π–π stacking and hydrogen bonding, 3D architecture of compound 2 is formed by hydrogen bonding. Compound 3 features a 1D double-chain structure, which are linked by π–π interactions into a 2D supramolecular layer. Compounds 4-5 display a 2D network structure. Neighboring layers of 4 are extended into a 3D supramolecular architecture through hydrogen bonding. The structural diversity of these compounds is attributed to the effect of ancillary N-donor ligands and coordination modes of H{sub 2}bzgluO. Luminescent properties of 1–5 were studied at room temperature. Circular dichroism of compounds 1, 2 and 5 were investigated. - Graphical abstract: Five new Cd(II) metal coordination compounds with H{sub 2}bzgluO and different N-donor ligands were synthesized and characterized. Compounds 1, 2 and 3 present 1D structures, compounds 4 and 5 display 2D networks. Results indicate that auxiliary ligands and coordination modes of H{sub 2}bzgluO play an important role in governing the formation of final frameworks, and the hydrogen-bonding and π–π stacking interactions contribute the formation of the diverse supramolecular architectures. Furthermore, the different crystal structures influence the emission spectra significantly. - Highlights: • It is rarely reported that complexes prepared with N-benzoyl-L-glutamic acid

Two three-dimensional coordination polymers of lead(II) with iminodiacetate and naphthalene-dicarboxylate anions: Synthesis, characterization and luminescence behavior

Energy Technology Data Exchange (ETDEWEB)

Hazari, Debdoot; Jana, Swapan Kumar [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India); Fleck, Michel [Institute of Mineralogy and Crystallography, University of Vienna, Geozentrum, Althanstr. 9, A-1090 Vienna (Austria); Zangrando, Ennio [Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127 Trieste (Italy); Dalai, Sudipta, E-mail: sudipta@mail.vidyasagar.ac.in [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721 102, West Bengal (India)

2014-11-15

Two lead(II) compounds [Pb{sub 3}(idiac){sub 3}(phen){sub 2}(H{sub 2}O)]·2(H{sub 2}O) (1) and [Pb(ndc)]{sub n} (2), where H{sub 2}idiac=iminodiacetic acid, phen=1,10-phenanthroline and H{sub 2}ndc=naphthalene-2,6-dicarboxylic acid, have been synthesized and structurally characterized. Single crystal X-ray diffraction analysis showed that compound 1 is a discrete trinuclear complex (of two-fold symmetry) which evolves to a supramolecular 3D network via π–π interactions, while in compound 2 the naphthalene dicarboxylate anion act as a linker to form a three dimensional architecture, where the anion adopts a bis-(bidentate bridging) coordination mode connecting four Pb(II) centers. The photoluminescence property of the two complexes has been studied. - graphical abstract: Two new topologically different 1D coordination polymers formed by Pb{sub 4} clusters have been synthesized and characterized by x-ray analysis. The luminescence and thermal properties have been studied. - Highlights: • 1 is a trinuclear complex of Pb(II) growing to 3D network via weak interactions. • In 1, layers of (4,4) rhomboidal topology are identified. • In 2, the ndc anion adopts interesting bis-(bidentate bridging) coordination. • In 2, network is reinforced by C–H…π-ring interactions between the ndc rings.

Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound

International Nuclear Information System (INIS)

Caracelli, Ignez; Maganhi, Stella H.; Zukerman-Schpector, Julio; Sousa Madureira, Lucas; Stefani, Helio A.; Guadagnin, Rafael C.; Tiekink, Edward R.T.

2016-01-01

Some biologically active organotellurium compounds exhibit inhibitory potency against cathepsin B. In this study, an alkyl derivative, viz. [CH 3 (CH 2 ) 2 C(I)=C(H)](nBu)TeI 2 , 1, has been structurally characterised by X-ray crystallography and shown to be coordinated within a C 2 I 2 donor set. When the stereochemically active lone pair of electrons is taken into account, a distorted trigonal bipyramidal geometry results with the iodide atoms in axial positions. Both intra- and inter-molecular Te..I interactions are also noted. If all interactions are considered, the coordination geometry is based on a Ψ-pentagonal bipyramidal geometry. An unusual feature of the structure is the curving of the functionalised C 5 chain. This feature has been explored by DFT methods and shown to arise as a result of close C-H..I interactions. A docking study (cathepsin B) was performed to understand the inhibition mechanism and to compare the new results with previous observations. Notably, 1 has the same pose exhibited by analogous biologically active compounds with aryl groups. Thus, the present study suggests that (alkyl) 2 TeX 2 compounds should also be evaluated for biological activity.

A novel inorganic-organic compound: Synthesis and structural characterization of tin(II) phenylbis(phosphonate), Sn2(PO3C6H4PO3)

International Nuclear Information System (INIS)

Subbiah, Ayyappan; Bhuvanesh, Nattamai; Clearfield, Abraham

2005-01-01

A novel tin(II) phenylbis(phosphonate) compound has been synthesized hydrothermally and its structure has been determined by single crystal X-ray diffraction. The structure is monoclinic, space group P2 1 /c (no. 14), a=4.8094(4), b=16.2871(13), c=6.9107(6)A; β=106.292(6) o , V=519.59(7)A 3 , Z=2. The three-dimensional structure consists of 3-coordinated tin and 4-coordinated phosphorus double layers separated (pillared) by phenyl rings. These phenyl rings are placed 4.8A apart along the a-axis in the structure resulting in lower surface area (∼14m 2 /g). The porosity has been increased by replacing phenyl groups by methyl groups (∼31m 2 /g)

Mesoporous nitrogen-doped carbon microfibers derived from Mg-biquinoline-dicarboxy compound for efficient oxygen electroreduction

Energy Technology Data Exchange (ETDEWEB)

Kong, Aiguo, E-mail: agkong@chem.ecnu.edu.cn [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China); Fan, Xiaohong; Chen, Aoling [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China); Zhang, Hengiang [School of Chemistry and Chemical Engineering, Hebei Normal University for Nationalities, Chengde 067000 (China); Shan, Yongkui, E-mail: agkong@chem.ecnu.edu.cn [School of Chemistry and Molecular Engineering, East China Normal University, 500 Dongchuan Road, Shanghai 200241 (China)

2017-02-15

An in-situ MgO-templating synthesis route was introduced to obtain the mesoporous nitrogen-doped carbon microfibers by thermal conversion of new Mg-2,2′-biquinoline 4,4-dicarboxy acid coordination compound (Mg-DCA) microfibers. The investigated crystal structure of Mg-DCA testified that the assembling of Mg{sup 2+} and DCA through Mg-O coordination bond and hydrogen bond contributed to the formation of one-dimensional (1D) crystalline Mg-DCA microfibers. The nitrogen-doped carbons derived from the pyrolysis of Mg-DCA showed the well-defined microfiber morphology with high mesopore-surface area. Such mesoporous microfibers exhibited the efficient catalytic activity for oxygen reduction reaction (ORR) in alkaline solutions with better stability and methanol-tolerance performance. - Graphical abstract: Mesoporous nitrogen-doped carbon microfibers with efficient oxygen electroreduction activity were prepared by thermal conversion of new Mg-biquinoline-based coordination compound microfibers.

Studies of obtaining and stability in aqueous medium of new complex compounds of Ti(IV) and Zr(IV) used in ecological leather tanning

Science.gov (United States)

Crudu, Marian; Sibiescu, Doina; Rosca, Ioan; Sutiman, Daniel; Vizitiu, Mihaela

2009-01-01

In this paper, the study of obtaining new coordination compounds of Ti(IV) and Zr(IV) using as ligand: D,L-β-iso-butyric acid, is presented. Also, the stability of these compounds in aqueous medium is studied. The studies of obtaining and of stability of the new compounds were accomplished in aqueous solutions using methods characteristic for coordination compounds: conductance and pH measurements. The combination ratios and the stability were determined with methods characteristic for studies in solutions. From experimental data resulted that the combination ratio of central metallic atoms with the ligand derived from D,L-β-iso-butyric acid was 1:2. From experimental data resulted that in strong acid and strong basic mediums, the coordination compounds could not be obtained. The optimal stability of the studied compounds is limited between 3-6, pH - values. This fact is in accordance with the conditions of using these compounds in ecological leather tanning. Of great importance is that these compounds were used with very good results in tanning processes of different types of leather. This fact evidenced that the ecological alternative of tanning is better than non-ecological tanning using chrome compounds. The importance of this paper consists in obtaining new coordination compounds that can be used in ecological leather tanning.

Syntheses, crystal structures and fluorescent properties of Cd(II), Hg(II) and Ag(I) coordination polymers constructed from 1H-1,2,4-triazole-1-acetic acid

International Nuclear Information System (INIS)

Ding Degang; Xie Lixia; Fan Yaoting; Hou Hongwei; Xu Yan

2009-01-01

Three new d 10 coordination polymers, namely [Cd(taa)Cl] n 1, [Hg(taa)Cl] n 2, and [Ag 1.5 (taa)(NO 3 ) 0.5 ] n 3 (taa=1H-1,2,4-triazole-1-acatate anion) have been prepared and characterized by elemental analysis, IR, and single crystal X-ray diffraction. Compound 1 consists of two-dimensional layers constructed by carboxyl-linked helical chains, which are further linked through carboxyl group to generate a unique 3D open framework. Topological analysis reveals that the structure of 1 can be classified as an unprecedented (3,8)-connected network with the Schlaefli symbol (4.5 2 ) 2 (4 2 .5 8 .6 14 .7 3 .8). Compound 2 manifests a doubly interpenetrated decorated α-polonium cubic network with the Schlaefli symbol of (4 10 .6 2 .8 3 ). Compound 3 consists of 2D puckered layers made up of Ag centers and taa - bridges. In addition, all of these compounds are photoluminescent in the solid state with spectra that closely resemble those of the ligand precursor. - Graphical abstract: Three new compounds based on 1H-1,2,4-triazole-1-acetic acid and Cd(II), Hg(II) and Ag(I) salts display luminescent properties and may be potential candidates for luminescent materials.

K2Ln2As2Se9 (Ln = Sm, Gd): the first quaternary rare-earth selenoarsenate compounds with a 3D framework containing chairlike As2Se4 units.

Science.gov (United States)

Wu, Yuandong; Bensch, Wolfgang

2009-04-06

The new compounds K(2)Ln(2)As(2)Se(9) (Ln = Sm, Gd) were obtained by applying the reactive flux method. The structure consists of a three-dimensional (3D) [Ln(2)As(2)Se(9)](2-) framework with K(+) ion-filling tunnels running along the b axis. The two unique Ln(3+) cations are coordinated by two Se(2)(2-) dumbbells, two AsSe(3)(3-) pyramids, and one chairlike As(2)Se(4)(2-) unit in a bicapped trigonal-prismatic geometry. The Ln(3+)-centered trigonal prisms share triangular faces with neighboring prisms, forming one-dimensional chains along the b axis. These chains are linked to each other to form layers by sharing Se(2-) anions on the capped sites of the trigonal prisms. The As(2)Se(4) units connect these layers to form the 3D framework.

The homoleptic sandwich anion [Co(P2C2tBu2)2]-: a versatile building block for phosphaorganometallic chemistry

NARCIS (Netherlands)

Wolf, Robert; Ehlers, A.W.; Slootweg, J.C.; Lutz, M.; Gudat, D.; Hunger, M.; Spek, A.L.; Lammertsma, K.

2008-01-01

Phosphaalkynes (RC=P) are valuable starting materials for a wide range of low-coordinate phosphorus compounds.[1] Similar to alkynes,[2] these reactive, triply-bonded molecules oligomerize in the coordination sphere of transition metals to give diphosphacyclobutadienes, triphosphabenzenes, or higher

Oxidation of methyl heterocyclic compounds on vanadium oxide catalysts

International Nuclear Information System (INIS)

Shimanskaya, M.V.; Lejtis, L.A.; Iovel', I.G.; Gol'dberg, Yu.Sh.; Skolmejstere, R.A.; Golender, L.O.

1985-01-01

Data on vapor-phase oxidation of methyl derivatives of thiophene, Δ 2 - thiazo line, pyridine, pyrazine and pyramidine on oxide vanadium-molybdenum catalysts to corresponding heterylaldehydes are generalized. The dependence of catalytic properties of oxide vanadium-molybdenum systems in oxidation reactions of methylheterocyclic compounds on V:Mo ratio in the catalyst is revealed. It is shown that heterocyclic compounds are coordinated by a heteroatom on Lewis centres of V-Mo-O-catalyst primarily with partially reduced vanadium ions

[UO{sub 2}Cl{sub 2}(phen){sub 2}], a simple uranium(VI) compound with a significantly bent uranyl unit (phen=1,10-phenanthroline)

Energy Technology Data Exchange (ETDEWEB)

Schoene, Sebastian; Radoske, Thomas; Maerz, Juliane; Stumpf, Thorsten; Patzschke, Michael; Ikeda-Ohno, Atsushi [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Institute of Resource Ecology, Dresden (Germany)

2017-10-04

A simple synthesis based on UO{sub 2}Cl{sub 2}.n H{sub 2}O and 1,10-phenanthroline (phen) resulted in the formation of a new uranyl(VI) complex [UO{sub 2}Cl{sub 2}(phen){sub 2}] (1), revealing a unique dodecadeltahedron coordination geometry around the uranium center with significant bending of the robust linear arrangement of the uranyl (O-U-O) unit. Quantum chemical calculations on complex 1 indicated that the weak but distinct interactions between the uranyl oxygens and the adjacent hydrogens of phen molecules play an important role in forming the dodecadeltahedron geometry that fits to the crystal structure of 1, resulting in the bending the uranyl unit. The uranyl oxygens in 1 are anticipated to be activated as compared with those in other linear uranyl(VI) compounds. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

STABILIZATION OF UNUSUAL SUBSTRATE COORDINATION MODES IN DINUCLEAR MACROCYCLIC COMPLEXES

Directory of Open Access Journals (Sweden)

Vasile Lozan

2010-06-01

Full Text Available The steric protection offered by the macrobinucleating hexaazaditiophenolate ligand (L allows for the preparation of the first stable dinuclear nickel(II borohydride bridged complex, which reacts rapidly with elemental sulphur producing a tetranuclear nickel(II complex [{(LNi2}2(μ-S6]2+ bearing a helical μ4-hexa- sulfide ligand. The [(LCoII 2]2+ fragment have been able to trap a monomethyl orthomolybdate in the binding pocket. Unusual coordination modes of substrate in dinuclear macrocyclic compounds was demonstrated.

Large positive magnetoresistance in intermetallic compound NdCo2Si2

Science.gov (United States)

Roy Chowdhury, R.; Dhara, S.; Das, I.; Bandyopadhyay, B.; Rawat, R.

2018-04-01

The magnetic, magneto-transport and magnetocaloric properties of antiferromagnetic intermetallic compound NdCo2Si2 (TN = 32K) have been studied. The compound yields a positive magnetoresistance (MR) of about ∼ 123 % at ∼ 5K in 8 T magnetic field. The MR value is significantly large vis - a - vis earlier reports of large MR in intermetallic compounds, and possibly associated with the changes in magnetic structure of the compound. The large MR value can be explained in terms of field induced pseudo-gaps on Fermi surface.

Coordination structure of adsorbed Zn(II) at Water-TiO2 interfaces

Energy Technology Data Exchange (ETDEWEB)

He, G.; Pan, G.; Zhang, M.; Waychunas, G.A.

2011-01-15

The local structure of aqueous metal ions on solid surfaces is central to understanding many chemical and biological processes in soil and aquatic environments. Here, the local coordination structure of hydrated Zn(II) at water-TiO{sub 2} interfaces was identified by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectroscopy combined with density functional theory (DFT) calculations. A nonintegral coordination number of average {approx}4.5 O atoms around a central Zn atom was obtained by EXAFS analysis. DFT calculations indicated that this coordination structure was consistent with the mixture of 4-coordinated bidentate binuclear (BB) and 5-coordinated bidentate mononuclear (BM) metastable equilibrium adsorption (MEA) states. The BB complex has 4-coordinated Zn, while the monodentate mononuclear (MM) complex has 6-coordinated Zn, and a 5-coordinated adsorbed Zn was found in the BM adsorption mode. DFT calculated energies showed that the lower-coordinated BB and BM modes were thermodynamically more favorable than the higher-coordinated MM MEA state. The experimentally observed XANES fingerprinting provided additional direct spectral evidence of 4- and 5-coordinated Zn-O modes. The overall spectral and computational evidence indicated that Zn(II) can occur in 4-, 5-, and 6-oxygen coordinated sites in different MEA states due to steric hindrance effects, and the coexistence of different MEA states formed the multiple coordination environments.

(1-Butyl-4-methyl-pyridinium)[Cu(SCN)2]: a coordination polymer and ionic liquid.

Science.gov (United States)

Spielberg, Eike T; Edengeiser, Eugen; Mallick, Bert; Havenith, Martina; Mudring, Anja-Verena

2014-04-25

The compound (C4C1py)[Cu(SCN)2], (C4C1py = 1-Butyl-4-methyl-pyridinium), which can be obtained from CuSCN and the ionic liquid (C4C1py)(SCN), turns out to be a new organic-inorganic hybrid material as it qualifies both, as a coordination polymer and an ionic liquid. It features linked [Cu(SCN)2](-) units, in which the thiocyanates bridge the copper ions in a μ1,3-fashion. The resulting one-dimensional chains run along the a axis, separated by the C4C1py counterions. Powder X-ray diffraction not only confirms the single-crystal X-ray structure solution but proves the reformation of the coordination polymer from an isotropic melt. However, the materials shows a complex thermal behavior often encountered for ionic liquids such as a strong tendency to form a supercooled melt. At a relatively high cooling rate, glass formation is observed. When heating this melt in differential scanning calorimetry (DSC) and temperature-dependent polarizing optical microscopy (POM), investigations reveal the existence of a less thermodynamically stable crystalline polymorph. Raman measurements conducted at 10 and 100 °C point towards the formation of polyanionic chain fragments in the melt. Solid-state UV/Vis spectroscopy shows a broad absorption band around 18,870 cm(-1) (530 nm) and another strong one below 20,000 cm(-1) (<500 nm). The latter is attributed to the d(Cu(I))→π*(SCN)-MLCT (metal-to-ligand charge transfer) transition within the coordination polymer yielding an energy gap of 2.4 eV. At room temperature and upon irradiation with UV light, the material shows a weak fluorescence band at 15,870 cm(-1) (630 nm) with a quantum efficiency of 0.90(2) % and a lifetime of 131(2) ns. Upon lowering the temperature, the luminescence intensity strongly increases. Simultaneously, the band around 450 nm in the excitation spectrum decreases. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A-site ordered perovskite CaCu3Cu2Ir2O12−δ with square-planar and octahedral coordinated Cu ions

International Nuclear Information System (INIS)

Zhao Qing; Wang Qing-Tao; Yin Yun-Yu; Dai Jian-Hong; Shen Xi; Yang Jun-Ye; Yu Ri-Cheng; Long You-Wen; Hu Zhi-Wei; Li Xiao-Dong

2016-01-01

A novel CaCu 3 Cu 2 Ir 2 O 12−δ polycrystalline sample was synthesized at 8 GPa and 1373 K. Rietveld structural analysis shows that this compound crystallizes in an -type A-site ordered perovskite structure with space group Im-3. X-ray absorption spectra reveal a +2-charge state for both the square-planar and octahedral coordinated Cu ions, and the valence state of Ir is found to be about +5. Although the A-site Ca and the A′-site Cu 2+ are 1:3 ordered at fixed atomic positions, the distribution of B-site Cu 2+ and Ir 5+ is disorderly. As a result, no long-range magnetic ordering is observed at temperatures down to 2 K. Electrical transport and heat capacity measurements demonstrate itinerant electronic behavior. The crystal structure is stable with pressure up to 35.7 GPa at room temperature. (paper)

Synthesis, characterization, and thermochemistry of the solid state coordination compound Zn(Nic){sub 2} . H{sub 2}O(s) (Nic = nicotinic acid)

Energy Technology Data Exchange (ETDEWEB)

Di Youying [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China)], E-mail: yydi@lcu.edu.cn; Hong Yuanping; Kong Yuxia; Yang Weiwei [College of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, Shandong (China); Tan Zhicheng [Thermochemistry Laboratory, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

2009-01-15

A novel compound, viz. zinc nicotinate monohydrate, was synthesized by the method of room temperature solid phase synthesis. The techniques of FT-IR chemical and elemental analyses and X-ray powder diffraction were applied to characterise the structure and composition of the complex. In accordance with Hess' law, a thermochemical cycle was designed and the enthalpy change of the solid phase reaction of nicotinic acid with hydrated zinc acetate was determined to be {delta}{sub r}H{sub m}{sup 0}=(46.71{+-}0.21)kJ.mol{sup -1} by use of an isoperibol solution-reaction calorimeter. The standard molar enthalpy of formation of the title complex Zn(Nic){sub 2} . H{sub 2}O(s) was calculated as -(1062.3 {+-} 2.0) kJ . mol{sup -1} by use of the enthalpies of dissolution and other auxiliary thermodynamic data.

Influence of bulky substituents on the regioselective group-transfer reactions of diorganozinc compounds with N,N'-bis(2,6-di-isopropylphenyl)-1,4-diaza-1,3-butadiene

NARCIS (Netherlands)

Koten, G. van; Wissing, E.; Gorp, K. van; Boersma, J.

1994-01-01

Diorganozinc compounds R{2}Zn (R=alkyl or aryl) react with N, N'-bis(2,6-di-isopropylphenyl)-1,4-diaza-1,3-butadiene, (i-Pr{2}Ph)N@?CHCHp@?N(i-Pr{2}Ph) (i-Pr{2}Ph-DAB) to give thermally unstable 1:1 coordination complexes R{2}Zn(i-Pr2Ph-DAB), which subsequently undergo a slow regioselective alkyl or

Structural information on the coordination compounds formed by manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and mercury(II) thiocyanates with 4-cyanopyridine N-oxide from their magnetic moments, electronic and infrared spectra

Science.gov (United States)

Ahuja, I. S.; Yadava, C. L.; Singh, Raghuvir

1982-05-01

Coordination compounds formed by the interaction of 4-cyanopyridine. N-oxide (4-CPO), a potentially bidentate ligand, with manganese(II), cobalt(II), nickel(II), zinc(II), cadmium(II) and rnercury(II) thiocyanates have been prepared and characterized from their elemental analyses, magnetic susceptibilities, electronic and infrared spectral studies down to 200 cm -1 in the solid state. The compounds isolated are: Mn(4-CPO) 2(NCS) 2, Co(4-CPO) 2(NCS) 2,Ni(4-CPO) 2(NCS) 2,Zn(4-CPO) 2(NCS) 2, Cd(4-CPO)(NCS) 2 and Hg(4-CPO) 2(SCN) 2. It is shown that 4-CPO acts as a terminal N-oxide oxygen bonded monodentate ligand in all the metal(II) thiocyanate complexes studied. Tentative stereochemistries of the complexes in the solid state are discussed. The ligand field parameters 10 Dq, B, β and λ calculated for the manganese(II), cobalt(II) and nickel(II) complexes are consistent with their proposed stereochemistries.

Structural modulation and luminescent properties of four CdII coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and flexible/rigid dicarboxylate ligands

Science.gov (United States)

Xia, Liang; Dong, Wen-Wen; Ye, Xiao; Zhao, Jun; Li, Dong-Sheng

2016-10-01

To systematically investigate the influence of the flexible or rigid auxiliary ligands on the structures and properties of transition metal compounds, we synthesized four new d10 coordination polymers (CPs) from 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole (4-Hpzpt) and flexible/rigid dicarboxylate ligands, [Cd(4-pzpt)2]n (1), [Cd3(4-pzpt)2(suc)2]n (2), [Cd2(4-Hpzpt)(nbc)2(H2O)]n (3) and {[Cd2(4-pzpt)2(tfbdc)(H2O)4]·H2O}n (4) (H2suc=1,2-ethanedicarboxylic acid, H2nbc=hthalene-1,4-dicarboxylic acid, H2tfbdc =2,3,5,6-tetrafluoroterephthalic acid). Single crystal X-ray analysis indicates that compound 1 shows a 44-sql layer, which is extended to a 3D network via nonclassical C-H…N hydrogen bonds. Compound 2 possesses a 6-connected pcu-4120.63 net composed of trinuclear CdII-clusters. Compound 3 represents a rare 3D (3,4,4,5)-connected topology with a Schläfli symbol of (4·6·7)(4·53·72)(53·6·7·9)(42·55·6·72). Compound 4 exhibits a 2D+2D→2D parallel interpenetrated 63-hcb network. The adjacent 2D networks are interdigitated with each other to form the resulting 3D supramolecular architecture through classical O-H…N and O-H…O hydrogen bonds. Structural diversities indicate that the nature of flexible/rigid-dicarboxlates plays crucial roles in modulating structures of these compounds. Moreover, the luminescent properties of them have been briefly investigated.

Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.

Science.gov (United States)

Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr

2016-06-28

1'-(Diphenylphosphino)-1-cyanoferrocene () reacts with silver(i) halides at a 1 : 1 metal-to-ligand ratio to afford the heterocubane complexes [Ag(μ3-X)(-κP)]4, where X = Cl (), Br (), and I (). In addition, the reaction with AgCl with 2 equiv. of leads to chloride-bridged dimer [(μ-Cl)2{Ag(-κP)2}2] () and, presumably, also to [(μ(P,N)-){AgCl(-κP)}]2 (). While similar reactions with AgCN furnished only the insoluble coordination polymer [(-κP)2Ag(NC)Ag(CN)]n (), those with AgSCN afforded the heterocubane [Ag(-κP)(μ-SCN-S,S,N)]4 () and the thiocyanato-bridged disilver(i) complex [Ag(-κP)2(μ-SCN-S,N)]2 (), thereby resembling reactions in the AgCl- system. Attempted reactions with AgF led to ill-defined products, among which [Ag(-κP)2(μ-HF2)]2 () and [(μ-SiF6){Ag(-κP)2}2] () could be identified. The latter compound was prepared also from Ag2[SiF6] and . Reactions between and AgClO4 or Ag[BF4] afforded disilver complexes [(μ(P,N)-)Ag(ClO4-κO)]2 () and [(μ(P,N)-)Ag(BF4-κF)]2 () featuring pseudolinear Ag(i) centers that are weakly coordinated by the counter anions. A similar reaction with Ag[SbF6] followed by crystallization from ethyl acetate produced an analogous complex, albeit with coordinated solvent, [(μ(P,N)-)Ag(AcOEt-κO)]2[SbF6]2 (). Ultimately, a compound devoid of any additional ligands at the Ag(i) centers, [(μ(P,N)-)Ag]2[B(C6H3(CF3)2-3,5)4]2 (), was obtained from the reaction of with silver(i) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate. The reaction of Ag[BF4] with two equivalents of produced unique coordination polymer [Ag(-κP)(μ(P,N)-)]n[BF4]n (), the structure of which contained one of the phosphinoferrocene ligands coordinated as a P,N-chelate and the other forming a bridge to an adjacent Ag(i) center. All of these compounds were structurally characterized by single-crystal X-ray crystallography, revealing that the lengths of the bonds between silver and its anionic ligand(s) typically exceed the sum of the respective

Synthesis and characterization of a multifunctional inorganic-organic hybrid mixed-valence copper(I/II) coordination polymer: {[CuCN][Cu(isonic)2]}n

Science.gov (United States)

Liu, Dong-Sheng; Chen, Wen-Tong; Ye, Guang-Ming; Zhang, Jing; Sui, Yan

2017-12-01

A new multifunctional mixed-valence copper(I/II) coordination polymer, {[CuCN][Cu(isonic)2]}n(1) (Hisonic = isonicotinic acid), was synthesized by treating isonicotinic acid and 5-amino-tetrazolate (Hatz = 5-amino-tetrazolate) with copper(II) salts under hydrothermal conditions, and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction, respectively. The X-ray diffraction analysis reveals that compound exhibit noncentrosymmetric polar packing arrangement. It is three-dimensional (3D) framework with (3,5)-connected 'seh-3' topological network constructed from metal organic framework {[Cu(isonic)2]}n and the inorganic linear chain{Cu(CN)}n subunits. A remarkable feature of 1 is the rhombic open channels that are occupied by a linear chain of {Cu(CN)}n. Impressively compound 1 displays not only a second harmonic generation (SHG) response, but also a ferroelectric behavior and magnetic properties.

Structure and bonding of transition metal-boryl compounds. Theoretical study of [(PH3)2(CO)ClOs-BR2] and [(PH3)2(CO)2ClOs-BR2] (BR2 = BH2, BF2, B(OH)2, B(OCH=CHO), Bcat).

Science.gov (United States)

Giju, K T; Bickelhaupt, F M; Frenking, G

2000-10-16

Quantum chemical DFT calculations using the B3LYP functionals have been carried out for the electronically unsaturated 16 VE five-coordinate osmium boryl-complexes [(PH3)2(CO)ClOs-BR2] and the 18 VE six-coordinate complexes [(PH3)2(CO)2ClOs-BR2] with BR2 = BH2, BF2, B(OH)2, B(OHC=CHO), and Bcat (cat = catecholate O2C6H4). The bonding situation of the Os-BR2 bond was analyzed with the help of the NBO partitioning scheme. The Os-B bond dissociation energies of the 16 VE complexes are very high, and they do not change very much for the different boryl ligands. The 18 VE complexes have only slightly lower bond energies than the 16 VE species. The Os-B bond in both classes of compounds is provided by a covalent sigma-bond which is polarized toward osmium and by strong charge attraction. Os-->B pi-donation is not important for the Os-B binding interactions, except for the Os-BH2 complexes. The stability of the boryl complexes [Os]-BR2 comes mainly from BB pi-donation. The intraligand charge distribution of the BR2 group changes little when the Os-B bond is formed, except for BH2. The CO ligand in [(PH3)2(CO)2ClOs-BR2] which is trans to BR2 has a relatively weak bond to the osmium atom.

Synthesis and crystal structure of trans-[Ni(pyzdcH)M 2 (H 2 O) 2 ...

African Journals Online (AJOL)

The determined structure of the title compound C24H20Ni2N8O20 consists of the mononuclear trans-[Ni(pyzdc)2(H2O)2], (pyzdc = pyrazine-2,3- dicarboxylate). The Ni(II) atom is hexa-coordinated by two (pyzdcH)- groups and two water molecules. The coordinated water molecules are in trans-diaxial positions and the ...

Sandwich-type mixed tetrapyrrole rare-earth triple-decker compounds. Effect of the coordination geometry on the single-molecule-magnet nature.

Science.gov (United States)

Kan, Jinglan; Wang, Hailong; Sun, Wei; Cao, Wei; Tao, Jun; Jiang, Jianzhuang

2013-08-05

Employment of the raise-by-one step method starting from M(TClPP)(acac) (acac = monoanion of acetylacetone) and [Pc(OPh)8]M'[Pc(OPh)8] led to the isolation and free modulation of the two rare-earth ions in the series of four mixed tetrapyrrole dysprosium sandwich complexes {(TClPP)M[Pc(OPh)8]M'[Pc(OPh)8]} [1-4; TClPP = dianion of meso-tetrakis(4-chlorophenyl)porphyrin; Pc(OPh)8 = dianion of 2,3,9,10,16,17,23,24-octa(phenoxyl)phthalocyanine; M-M' = Dy-Dy, Y-Dy, Dy-Y, and Y-Y]. Single-crystal X-ray diffraction analysis reveals different octacoordination geometries for the two metal ions in terms of the twist angle (defined as the rotation angle of one coordination square away from the eclipsed conformation with the other) between the two neighboring tetrapyrrole rings for the three dysprosium-containing isostructural triple-decker compounds, with the metal ion locating between an inner phthalocyanine ligand and an outer porphyrin ligand with a twist angle of 9.64-9.90° and the one between two phthalocyanine ligands of 25.12-25.30°. Systematic and comparative studies over the magnetic properties reveal magnetic-field-induced single-molecule magnet (SMM), SMM, and non-SMM nature for 1-3, respectively, indicating the dominant effect of the coordination geometry of the spin carrier, instead of the f-f interaction, on the magnetic properties. The present result will be helpful for the future design and synthesis of tetrapyrrole lanthanide SMMs with sandwich molecular structures.

The Exploration and Analysis of the Magnetic Relaxation Behavior in Three Isostructural Cyano-Bridged 3d–4f Linear Heterotrinuclear Compounds

Directory of Open Access Journals (Sweden)

Xia Xiong

2018-03-01

Full Text Available Three isostructural cyano-bridged 3d–4f linear heterotrinuclear compounds, (H2.5O4{Ln[TM(CN5(CNH0.5]2(HMPA4} (Ln = YIII, TM = [FeIII]LS (1; Ln = DyIII, TM = [FeIII]LS (2; Ln = DyIII, TM = CoIII (3, have been synthesized and characterized by single-crystal X-ray diffraction. Due to the steric effect of the HMPA ligands, the central lanthanide ions in these compounds possess a low coordination number, six-coordinate, exhibiting a coordination geometry of an axially elongated octahedron with a perfect D4h symmetry. Four HMPA ligands situate in the equatorial plane around the central lanthanide ions, and two [TM(CN5(CNH0.5]2.5− entities occupy the apical positions to form a cyano-bridged 3d–4f linear heterotrinuclear structure. The static magnetic analysis of the three compounds indicated a paramagnetic behavior of compounds 1 and 3, and possible small magnetic interactions between the intramolecular DyIII and [FeIII]LS ions in compound 2. Under zero dc field, the ac magnetic measurements on 2 and 3 revealed the in-phase component (χ′ of the ac susceptibility without frequency dependence and silent out-of-phase component (χ″, which was attributed to the QTM effect induced by the coordination geometry of an axially elongated octahedron for the DyIII ion. Even under a 1 kOe applied dc field, the χ″ components of 2 were revealed frequency dependence without peaks above 2 K. And under a 2 kOe and 3 kOe dc field, the χ″ components of 3 exhibited weak frequency dependence below 4 K with the absence of well-shaped peaks, which confirmed the poor single-ion magnetic relaxation behavior of the six-coordinate DyIII ion excluding any influence from the neighboring [FeIII]LS ions as that in the analogue 2.

Tris(bis(trimethylsilyl)amido)uranium: Compounds with tri-, tetra-, and penta-valent uranium

Energy Technology Data Exchange (ETDEWEB)

Stewart, J.L.

1988-04-01

This trivalent uranium compound, serves as a precursor to new tri-, tetra-, and penta-valent uranium species. The geometry about the U atom is pyramidal. Lewis-base coordination compounds of U(N(SiMe/sub 3/)/sub 2/)/sub 3/ with a one-to-one- ratio of Lewis base to uranium were isolated with pyridine, 4-dimethylamino-pyridine, 2,6-Me/sub 2/-C/sub 6/H/sub 3/NC, and TPO. Two-to-one coordination compounds were obtained with t-butylnitrile and t-butylisocyanide. Compounds with more sterically demanding bases could not be isolated. The expected decrease in U-N(SiMe/sub 3/)/sub 2/ bond length with increase in oxidation state is not observed. Reaction of ClU(N(SiMe/sub 3/)/sub 2/)/sub 3/and Li(NH(p-tolyl)) yields the uranium (IV) dimer, U/sub 2/(N(SiMe/sub 3/)/sub 2/)/sub 4/(..mu..-N(p-tolyl))/sub 2/. Reaction with 2,4,6-triemethylaniline produces a dimer. Analogous substitution products could not be obtained with aniline or p-toluidine. t-Bu/sub 3/CO/sup /minus//, t-Bu/sub 2/CHO/sup /minus//, and t-Bu/sub 3/SiO/sup /minus// are used to synthesize new tetravalent, mononuclear uranium compounds. Reaction of ClU(tritox)/sub 3/ with alkyllithium reagents leads to isolation of RU(tritox)/sub 3/. The reaction of U(ditox)/sub 4/ with MeLi affords the addition product U(ditox)/sub 4/(Me)Li, whose crystal structure is described. Preparation of uranium silox compounds is reported. 97 refs., 26 figs., 39 tabs.

Room temperature synthesis of a Zn(II) metal-organic coordination polymer for dye removal

Science.gov (United States)

Abbasi, Alireza; Gharib, Maniya; Najafi, Mahnaz; Janczak, Jan

2016-03-01

A new one-dimensional (1D) coordination polymer, [Zn(4,4‧-bpy)(H2O)4](ADC)·4H2O (1) (4,4‧-bpy=4,4‧-bipyridine and H2ADC=acetylenedicarboxylic acid), was synthesized at room temperature. The crystal structure of the coordination polymer was determined by single-crystal X-ray diffraction analysis. Compound 1 was also characterized by FT-IR, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The catalytic activity of 1 was evaluated in the color removal of Bismarck brown as a representative of dye pollutant in water under mild conditions. Coordination polymer 1 exhibited good catalytic activity and stability in the decolorization of Bismarck brown and could be easily recovered and reused for at least three cycles.

Crystal chemistry of uranyl carboxylate coordination networks obtained in the presence of organic amine molecules

Energy Technology Data Exchange (ETDEWEB)

Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry [Unite de Catalyse et Chimie du Solide (UCCS) - UMR CNRS 8181, Universite de Lille Nord de France, USTL-ENSCL, Villeneuve d' Ascq (France)

2014-03-15

Three uranyl isophthalates (1,3-bdc) and two uranyl pyromellitates (btec) of coordination-polymer type were hydrothermally synthesized (200 C for 24 h) in the presence of different amine-based molecules [1,3-diaminopropane (dap) or dimethylamine (dma) originating from the in situ decomposition of N,N-dimethylformamide]. (UO{sub 2}){sub 2}(OH){sub 2}(H{sub 2}O)(1,3-bdc).H{sub 2}O (1) is composed of inorganic tetranuclear cores, which are linked to each other through the isophthalato ligand to generate infinite neutral ribbons, which are intercalated by free H{sub 2}O molecules. The compounds (UO{sub 2}){sub 1.5}(H{sub 2}O)(1,3-bdc){sub 2}.0.5H{sub 2}dap.1.5H{sub 2}O (2) and UO{sub 2}(1,3-bdc){sub 1.5}.0.5H{sub 2}dap.2H{sub 2}O (3) consist of discrete uranyl-centered hexagonal bipyramids connected to each other by a ditopic linker to form a single-layer network for 2 or a double-layer network for 3. The protonated diamine molecules are located between the uranyl-organic sheets and balance the negative charge of the layered sub-networks. The phase (UO{sub 2}){sub 2}O(btec).2Hdma.H{sub 2}O (4) presents a 2D structure built up from tetranuclear units, which consist of two central sevenfold coordinated uranium centers and two peripheral eightfold coordinated uranium centers. The connection of the resulting tetramers through the pyromellitate molecules generates an anionic layerlike structure, in which the protonated dimethylammonium species are inserted. The compound UO{sub 2}(btec).2Hdma (5) is also a lamellar coordination polymer, which contains isolated eightfold coordinated uranium cations linked through pyromellitate molecules and intercalated by protonated dimethylammonium species. In both phases 4 and 5, the btec linker has non-bonded carboxyl oxygen atoms, which preferentially interact with the protonated amine molecules through a hydrogen-bond network. The different illustrations show the structural diversity of uranyl-organic coordination polymers with organic

On metal-oxygen coordination. A statistical method to determine coordination number. Pt. 1

International Nuclear Information System (INIS)

Chiari, G.

1990-01-01

The environment around the Ca cation for compounds involving bonded oxygen has been studied for 254 inorganic structures containing a total of 368 polyhedra. Selection was made on the bases of the accuracy of the structural data. The coordination number (CN) was assigned using the criteria of maximum gap in the Ca-O distances and balanced bond-valence sums for Ca, but 32 cases were still difficult to assign unambiguously. A series of variables related to the Ca-O distances were calculated and averaged for each value of CN. The Gaussian curves representing the distribution of these variables for each CN overlap strongly. By way of contrast, the volume of the coordination polyhedra (Vol) showed well separated curves. Statistical analysis was applied to the set of structures with known CN, with seven variables and then with Vol alone, which seems to discriminate between the various CN groups equally well. A strong linear dependence was found for CN versus Vol. A method is proposed to assign CN in uncertain cases based on the equation: CN=0.197 (2)Vol+2.83 (5). Application of this equation to the unassigned cases compares favourably with discriminant analysis using the larger set of variables. (orig.)

Two novel metal-organic coordination polymers based on diphosphonate and oxalate: Synthesis, structures and properties

Science.gov (United States)

Niu, Qing-Jun; Zheng, Yue-Qing; Zhou, Lin-Xia; Zhu, Hong-Lin

2015-07-01

Two 2-(1-imidazole)-1-hydroxyl-1,1'-ethylidenediphosphonato and oxalic acid bridged coordination polymers (H2en)[Co3(H2zdn)2(ox)(H2O)2] (1) and Cd2(H2zdn)(ox)0.5(H2O) (2) (2-(1-imidazole)-1-hydroxyl-1,1'-ethylidenediphosphonic acid=H5zdn; oxalic acid=H2ox) were synthesized under hydrothermal conditions and characterized by the infrared (IR), thermogravimetric analyses (TGA), elemental analyses (EA) and X-ray diffraction (XRD). Compound 1 is bridged by phosphonate anions to 1D chain, and further linked by oxalate anions to 2D layer. Compound 2 is bridged by O-P-O units of H5zdn to the layer, and then pillared by oxalate anions to generate 3D frameworks. Compound 1 shows anti-ferromagnetic behaviors analyzed with the temperature-dependent zero-field ac magnetic susceptibilities, while compound 2 exhibits an influence on the luminescent property.

A new (4, 6)-connected Cu(I) coordination polymer based on rare tetranuclear [Cu4I2] clusters: Synthesis, crystal structure, luminescent and photocatalytic properties

Science.gov (United States)

Cui, Li-Jing; Liu, Chun-Yan; Bian, Ming; Yu, Li-Jun

2018-03-01

A new Cu(I) coordination polymer, namely [Cu5I3(L)2]n (1 HL = 3-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazolyl), was solvothermally synthesized using CuI, HL and NaI as the starting materials. Single crystal X-ray structural analysis shows that compound 1 features a (4, 6)-connected 3D framework employing rare tetranuclear [Cu4I2] clusters as building subunits. It exhibits intense metal-to-ligand luminescence and excellent photocatalytic activity on degradation of methylene blue (MB).

Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound

Energy Technology Data Exchange (ETDEWEB)

Caracelli, Ignez; Maganhi, Stella H. [Univ. Federal de Sao Carlos (Brazil). BioMat; Zukerman-Schpector, Julio; Sousa Madureira, Lucas [Univ. Federal de Sao Carlos (Brazil). Lab. de Cristalografia, Estereodinamica e Modelagem Molecular; Stefani, Helio A. [Sao Paulo Univ. (Brazil). Dept. de Farmacia; Guadagnin, Rafael C. [Univ. Federal de Sao Paulo, Diadema (Brazil). Inst. e Ciencias Mabientais, Quimicas e Farmaceuticas; Tiekink, Edward R.T. [Sunway Univ., Selangor Darul Ehsan (Malaysia). Centre for Crystalline Materials

2016-08-01

Some biologically active organotellurium compounds exhibit inhibitory potency against cathepsin B. In this study, an alkyl derivative, viz. [CH{sub 3}(CH{sub 2}){sub 2}C(I)=C(H)](nBu)TeI{sub 2}, 1, has been structurally characterised by X-ray crystallography and shown to be coordinated within a C{sub 2}I{sub 2} donor set. When the stereochemically active lone pair of electrons is taken into account, a distorted trigonal bipyramidal geometry results with the iodide atoms in axial positions. Both intra- and inter-molecular Te..I interactions are also noted. If all interactions are considered, the coordination geometry is based on a Ψ-pentagonal bipyramidal geometry. An unusual feature of the structure is the curving of the functionalised C{sub 5} chain. This feature has been explored by DFT methods and shown to arise as a result of close C-H..I interactions. A docking study (cathepsin B) was performed to understand the inhibition mechanism and to compare the new results with previous observations. Notably, 1 has the same pose exhibited by analogous biologically active compounds with aryl groups. Thus, the present study suggests that (alkyl){sub 2}TeX{sub 2} compounds should also be evaluated for biological activity.

Coordinates of the quantum plane as q-tensor operators in Uq (su(2) * su(2))

International Nuclear Information System (INIS)

Biedenharn, L.C.; Lohe, M.A.

1995-01-01

The relation between the set of transformations M q (2) of the quantum plane and the quantum universal enveloping algebra U q (u(2)) is investigated by constructing representations of the factor algebra U q (u(2) * u(2)). The non-commuting coordinates of M q (2), on which U q (2) * U q (2) acts, are realized as q-spinors with respect to each U q (u(2)) algebra. The representation matrices of U q (2) are constructed as polynomials in these spinor components. This construction allows a derivation of the commutation relations of the noncommuting coordinates of M q (2) directly from properties of U q (u(2)). The generalization of these results to U q (u(n)) and M q (n) is also discussed

Highly Sensitive Detection of UV Radiation Using a Uranium Coordination Polymer.

Science.gov (United States)

Liu, Wei; Dai, Xing; Xie, Jian; Silver, Mark A; Zhang, Duo; Wang, Yanlong; Cai, Yawen; Diwu, Juan; Wang, Jian; Zhou, Ruhong; Chai, Zhifang; Wang, Shuao

2018-02-07

The accurate detection of UV radiation is required in a wide range of chemical industries and environmental or biological related applications. Conventional methods taking advantage of semiconductor photodetectors suffer from several drawbacks such as sophisticated synthesis and manufacturing procedure, not being able to measure the accumulated UV dosage as well as high defect density in the material. Searching for new strategies or materials serving as precise UV dosage sensor with extremely low detection limit is still highly desirable. In this work, a radiation resistant uranium coordination polymer [UO 2 (L)(DMF)] (L = 5-nitroisophthalic acid, DMF = N,N-dimethylformamide, denoted as compound 1) was successfully synthesized through mild solvothermal method and investigated as a unique UV probe with the detection limit of 2.4 × 10 -7 J. On the basis of the UV dosage dependent luminescence spectra, EPR analysis, single crystal structure investigation, and the DFT calculation, the UV-induced radical quenching mechanism was confirmed. Importantly, the generated radicals are of significant stability which offers the opportunity for measuring the accumulated UV radiation dosage. Furthermore, the powder material of compound 1 was further upgraded into membrane material without loss in luminescence intensity to investigate the real application potentials. To the best of our knowledge, compound 1 represents the most sensitive coordination polymer based UV dosage probe reported to date.

Solvent-Dependent Delamination, Restacking, and Ferroelectric Behavior in a New Charge-Separated Layered Compound: [NH4 ][Ag3 (C9 H5 NO4 S)2 (C13 H14 N2 )2 ]⋅8 H2 O.

Science.gov (United States)

Sushrutha, Sringeri Ramesh; Mohana, Shivanna; Pal, Somnath; Natarajan, Srinivasan

2017-01-03

A new anionic coordination polymer, [NH 4 ][Ag 3 (C 9 H 5 NO 4 S) 2 (C 13 H 14 N 2 ) 2 ]⋅8 H 2 O, with a two-dimensional structure, has been synthesized by a reaction between silver nitrate, 8-hydroxyquinoline-5-sulfonic acid (HQS), and 4,4'-trimethylene dipyridine (TMDP). The compound stabilizes in a noncentrosymmetric space group, and the lattice water molecules and the charge-compensating [NH 4 ] + group occupy the inter-lamellar spaces. The lattice water molecules can be fully removed and reinserted, which is accompanied by a crystalline-amorphous-crystalline transformation. This transformation resembles the collapse/delamination and restacking of the layers. To the best of our knowledge, this is the first observation of delamination and restacking in an inorganic coordination polymer that contains silver. The presence of a natural dipole (the anionic framework and cationic ammonium ions) along with the noncentrosymmetric space group gives rise to the room-temperature ferroelectric behavior of the compound. The ferroelectric behavior is also water-dependent and exhibits a ferroelectric-paraelectric transformation. The temperature-dependent dielectric measurements indicate that the ferroelectric/ paraelectric transformation occurs at 320 K. This transformation has also been investigated by using in-situ IR spectroscopy and PXRD studies. The second-harmonic generation (SHG) study indicated values that are comparable to some of the known SHG solids, such as potassium dihydrogen phosphate (KDP) and urea. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coordination compound of vanadyl with meta-nitrobenzoilgydrozine and polyedric closo-borate anions B11H11CH

International Nuclear Information System (INIS)

Safarov, Sh.S; Kayumov, A.; Mirsaidov, U.M.

2005-01-01

The new complex compound [V O(m-NBzH) 4 (H 2 O)](B 1 1H 1 1CH) 2 C 2 H 5 OH have been synthesised and their properties have investigated. The compound of medetomidine of meta-nitronbenzoilgydrazinum with the nitroge nium of amine group and external sphere of clozo-borate anions was defined by analysis of IR-spectra

Er2S[SiO4]: An erbium sulfide ortho-oxosilicate with unusual sulfide anion coordination

International Nuclear Information System (INIS)

Hartenbach, Ingo; Lauxmann, Petra; Schleid, Thomas

2004-01-01

During the reaction of cadmium sulfide with erbium and sulfur in evacuated silica ampoules pink lath-shaped crystals of Er 2 S[SiO 4 ] occur as by-product which were characterized by X-ray single crystal structure analysis. The title compound crystallizes orthorhombically in the space group Cmce (a = 1070.02(8), b = 1235.48(9), c = 683.64(6) pm) with eight formula units per unit cell. Besides isolated ortho-oxosilicate units [SiO 4 ] 4- , the crystal structure contains two crystallographically independent Er 3+ cations which are both eightfold coordinated by six oxygen and two sulfur atoms. The sulfide anions are surrounded by four erbium cations each in the shape of very distorted tetrahedra. These excentric [SEr 4 ] 10+ tetrahedra build up layers according to 2 ∞ [SEr 4/2 ] 4+ by vertex- and edge-connection. They are piled parallel to (010) and separated by the isolated ortho-oxosilicate tetrahedra. (Abstract Copyright [2004], Wiley Periodicals, Inc.) [de

Studies of the yields of 57Fe(II)-species produced after the EC-decay and of 60Co(II)-species produced in the (n, γ) reaction in cobalt(III) coordination compounds

International Nuclear Information System (INIS)

Sano, Hirotoshi; Harada, Masayuki; Endo, Kazutoyo

1978-01-01

The yields of 57 Fe(II)-species produced after EC-decay were compared with those of 60 Co(II)-species produced in the 59 Co(n, γ) 60 Co reaction for twelve cobalt(III) coordination compounds. The results indicate that the radiochemical yield of 60 Co(II)-species correlates with the yield of 57 Fe(II)-species except in the case of [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 . The anomalously low yield of 57 Fe(II)-species in [Co(NH 3 ) 6 ] 2 (CrO 4 ) 3 is ascribed to the reaction of chromate anions with ammine ligands initiated by the nuclear transformation in a solid. (author)

14N NMR of amminecobalt(III) compounds

DEFF Research Database (Denmark)

Kofod, Pauli

2003-01-01

Directly detected ammine 14N NMR chemical shifts of 20 amminecobalt(III) compounds are reported. The coordination shifts, δCS = δcoord − δfree, are in all cases negative and range from −4.4 ppm for the trans ammine ligand in [Co(NH3)5(CH3)]2+ to −73.6 ppm for the trans ammine ligand in [Co(NH3)5(F...

State-of-the-art coordination chemistry of radioactive elements

International Nuclear Information System (INIS)

Kharisov, B I; Mendez-Rojas, Miguel A

2001-01-01

Modern procedures for the synthesis of coordination and organometallic compounds of actinides and technetium and the properties of these compounds are surveyed. Experimental techniques, including methods for the synthesis of actinide and technetium complexes from elemental metals (oxidative dissolution and direct electrosynthesis), salts and halide, carbonyl and other complexes are generalised. The bibliography includes 283 references.

Syntheses, structures and luminescent properties of lanthanide coordination polymers assembled from imidazophenanthroline derivative and oxalate ligands

Science.gov (United States)

Zhao, Hui; Sun, Xiao-Xia; Hu, Huai-Ming; An, Ran; Yang, Meng-Lin; Xue, Ganglin

2017-01-01

Nine new lanthanide coordination polymers, namely, [Ln(Hsfpip)(ox)0.5(H2O)]n·2n(H2O) ((Ln=Eu (1), Tb (2), Dy (3), Ho (4), Er (5), Yb (6), Y(7)), [Ln(H2sfpip)(ox)(H2O)4]n·2n(H2O) (Ln=Nd (8) Sm (9)), [H2ox=oxalic acid， H3sfpip=2-(2,4-disulfophenyl)imidazo(4,5-f)(1,10)-phenanthroline] have been synthesized under hydrothermal conditions and characterized by IR spectra, elemental analysis, powder X-ray diffraction and single crystal X-ray diffraction. When sodium oxalate is added, the reactions of lanthanide ions with H3sfpip resulted in two types of structures. Compounds 1-7 are obtained at pH 5.0 and exhibit 3D tfz-d networks with ox2- anions as linkers to bridge the adjacent layers. Compounds 8-9 are obtained at pH 2.0, and display a 1D chain which is further extended to a 3D supramolecular framework through intermolecular hydrogen bonds and π-π interactions. The structural variation from compounds 1-7 to 8-9 can attribute to the pH effect on construction of lanthanide coordination polymers. Moreover, the thermal stabilities and luminescence properties of 1-9 were also investigated.

Poisson Coordinates.

Science.gov (United States)

Li, Xian-Ying; Hu, Shi-Min

2013-02-01

Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

Studies of Metal-Metal Bonded Compounds in Catalysis

Energy Technology Data Exchange (ETDEWEB)

Berry, John F. [Univ. of Wisconsin, Madison, WI (United States)

2018-01-19

The overall goals of this research are (1) to define the fundamental coordination chemistry underlying successful catalytic transformations promoted by metal-metal bonded compounds, and (2) to explore new chemical transformations that occur at metal-metal bonded sites that could lead to the discovery of new catalytic processes. Transformations of interest include metal-promoted reactions of carbene, nitrene, or nitrido species to yield products with new C–C and C–N bonds, respectively. The most promising suite of transition metal catalysts for these transformations is the set of metal-metal bonded coordination compounds of Ru and Rh of the general formula M₂(ligand)₄, where M = Ru or Rh and ligand = a monoanionic, bridging ligand such as acetate. Development of new catalysts and improvement of catalytic conditions have been stymied by a general lack of knowledge about the nature of highly reactive intermediates in these reactions, the knowledge that is to be supplied by this work. Our three specific objectives for this year have been (A) to trap, isolate, and characterize new reactive intermediates of general relevance to catalysis, (B) to explore the electronic structure and reactivity of these unusual species, and how these two properties are interrelated, and (C) to use our obtained mechanistic knowledge to design new catalysts with a focus on Earth-abundant first-row transition metal compounds.

Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand

International Nuclear Information System (INIS)

Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz

2015-01-01

Three new coordination polymers [Mn(hip)(phen) (H_2O)]_n (1), [Co(hip)(phen) (H_2O)]_n (2), and [Cd(hip) (phen) (H_2O)]_n (3) (H_2hip=5-hydroxyisophthalic acid; phen=1,10-phenanthroline) have been synthesized by solvo-hydrothermal method using diethyl formamide-water (DEF-H_2O) as solvent system. Single-crystal X-ray diffraction analysis reveals that all three coordination polymers 1, 2 and 3 crystallize in monoclinic space group P2/n. Metal ions are inter-connected by hydroxyisophthalate anions forming zig-zag 1D chain. 1D chains are further inter-connected by hydrogen bonding and π–π stacking interactions leading to 3D supramolecular architecture. Hydrogen-bonding and π–π stacking provide thermal stability to polymers. Compounds 1 and 2 are paramagnetic at room temperature and variable temperature magnetic moment measurements revealed weak ferromagnetic interactions between metal ions at low temperature. Compound 3 exhibits excellent photoluminescence with large Stokes shift. - Graphical abstract: 1D helical chains of coordination polymers were synthesized by solvo-hydrothermal reaction of 5-hydroxyisopthalic acid and 1,10-phenanthroline with MnCl_2·4H_2O / CoCl_2·6H_2O / Cd(NO_3)_2·6H_2O. - Highlights: • Solvent induced synthesis of three coordination polymers with 1D zig-zag structure. • Crystal structures of coordination polymers are reported and discussed. • 1,10-Phenanthroline influences magnetic and luminescent properties of polymers. • Coordination polymer of Cd is luminescent exhibiting large Stokes shift.

Coordinate measuring machines

DEFF Research Database (Denmark)

De Chiffre, Leonardo

This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

Two multi-dimensional frameworks constructed from zinc coordination polymers with pyridine carboxylic acids

International Nuclear Information System (INIS)

Guo Yuanyuan; Ma Pengtao; Wang Jingping; Niu Jingyang

2011-01-01

Two novel zinc coordination polymers [Zn 2 (H 2 O)L(MoO 4 )] n (1) and [Zn 4 (PO 4 ) 2 L'(H 2 O)] n (2) (H 2 L=2,2'-bipyridine-6.6'-dicarboxylic acid, H 2 L'=2,2'-bipyridine-4,4'-dicarboxylic acid) have been hydrothermally synthesized and characterized by elemental analyses, IR spectra, UV spectra, single-crystal X-ray diffraction and thermogravimetric analyses. Structural analyses indicate that 1 represents a 2-D sheet structure built by dimeric [Zn 2 L(H 2 O)] 2+ units and MoO 4 2- groups whereas 2 displays an interesting 3-D framework constructed by tetranuclear zinc clusters, L' 2- ligands and PO 4 3- groups. Examination of UV spectra suggests that both 1 and 2 can stably exist in the pH range of 2.45-5.45 and 3.01-8.55 in aqueous solution, respectively. The room-temperature solid-state photoluminescence of 1 and 2 are derived from the intra-ligands π-π* transitions of H 2 L and H 2 L' ligands and the ligand-to-metal-charge-transfer transitions. - Graphical Abstract: Two new transition metal coordination polymers, namely, [Zn 2 (H 2 O)L 1 (MoO 4 )] n (1), [Zn 4 (PO 4 ) 2 L 2 (H 2 O)] n (2) (H 2 L 1 =2,2'-bipyridine-6,6'-dicarboxylic acid, H 2 L 2 =2,2'-bipyridine-4,4'-dicarboxylic acid) have been hydrothermally synthesized. 1 represents a 2-D sheet structure while 2 represents 3-D network. Highlights: →Two new transition metal coordination polymers have been hydrothermally synthesized. → The two compounds have been characterized by elemental analyses, IR, UV spectra, single-crystal X-ray diffraction, thermogravimetric analyses and photoluminescence. → Compound 1 represents a 2-D sheet structure while 2 represents 3-D network.

Tyrphostin AG-related compounds attenuate H2O2-induced TRPM2-dependent and -independent cellular responses.

Science.gov (United States)

Yamamoto, Shinichiro; Toda, Takahiro; Yonezawa, Ryo; Negoro, Takaharu; Shimizu, Shunichi

2017-05-01

TRPM2 is a Ca 2+ -permeable channel that is activated by H 2 O 2 . TRPM2-mediated Ca 2+ signaling has been implicated in the aggravation of inflammatory diseases. Therefore, the development of TRPM2 inhibitors to prevent the aggravation of these diseases is expected. We recently reported that some Tyrphostin AG-related compounds inhibited the H 2 O 2 -induced activation of TRPM2 by scavenging the intracellular hydroxyl radical. In the present study, we examined the effects of AG-related compounds on H 2 O 2 -induced cellular responses in human monocytic U937 cells, which functionally express TRPM2. The effects of AG-related compounds on H 2 O 2 -induced changes in intracellular Ca 2+ concentrations, extracellular signal-regulated kinase (ERK) activation, and CXCL8 secretion were assessed using U937 cells. Ca 2+ influxes via TRPM2 in response to H 2 O 2 were blocked by AG-related compounds. AG-related compounds also inhibited the H 2 O 2 -induced activation of ERK, and subsequent secretion of CXCL8 mediated by TRPM2-dependent and -independent mechanisms. Our results show that AG-related compounds inhibit H 2 O 2 -induced CXCL8 secretion following ERK activation, which is mediated by TRPM2-dependent and -independent mechanisms in U937 cells. We previously reported that AG-related compounds blocked H 2 O 2 -induced TRPM2 activation by scavenging the hydroxyl radical. The inhibitory effects of AG-related compounds on TRPM2-independent responses may be due to scavenging of the hydroxyl radical. Copyright © 2017 The Authors. Production and hosting by Elsevier B.V. All rights reserved.

Selective high capacity adsorption of Congo red, luminescence and antibacterial assessment of two new cadmium(II) coordination polymers

Science.gov (United States)

Beheshti, Azizolla; Nozarian, Kimia; Ghamari, Narges; Mayer, Peter; Motamedi, Hossein

2018-02-01

Coordination polymers [CdCl(NCS)L]n (1) and {[Cd2I4(L)2]·H2O·DMF}n (2) (where L = 1, 1-(1,4-butanediyl)bis(1,3-dihydro-3-methyl-1H-imidazole- 2-thione)) were synthesized and structurally characterized. Compounds 1 and 2 both possess a tetrahedral arrangement with CdS2NCl and CdS2I2 cores, respectively. In these structures, the flexible thione ligands adopt a μ- bridging coordination mode to form 1D chains along the b-axis. The 1D chains are join together by C-H--Cl hydrogen bonds (in 1) and water molecules (in 2) to create a 2D supramolecular framework with an ABAB…packing mode. Remarkably, compounds 1 and 2 in particular polymer 1 exhibit excellent capacity to adsorb Congo red (CR) with high selectivity. The experimental data demonstrate that the mechanism of sorption process can be described by the Elovich and pseudo second order kinetic models for 1 and 2, respectively. Furthermore, the possible mechanism of CR absorption was investigated by UV-Vis and solid state fluorescence spectra for the title polymers. In addition, the antibacterial assessment of these compounds have also been studied.

Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties

Science.gov (United States)

Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao

2016-01-01

Five new Cd(II) coordination polymers with N-benzoyl-L-glutamic acid (H2bzgluO) and different N-donor ligands, [Cd(bzgluO)(2,2‧-bipy)(H2O)]n (1), [Cd(bzgluO)(2,4‧-bipy)2(H2O)·3H2O]n (2), [Cd(bzgluO)(phen)·H2O]n (3), [Cd(bzgluO)(4,4‧-bipy)(H2O)]n (4), [Cd(bzgluO)(bpp)(H2O)·2H2O]n (5) were synthesized (2,2‧-bipy=2,2‧-bipyridine, 2,4‧-bipy=2,4‧-bipyridine, phen=1,10-phenanthroline, 4,4‧-bipy=4,4‧-bipyridine, bpp=1,3-di(4-pyridyl)propane). Compounds 1-2 exhibit a 1D single-chain structure. Compound 1 generates a 2D supramolecular structure via π-π stacking and hydrogen bonding, 3D architecture of compound 2 is formed by hydrogen bonding. Compound 3 features a 1D double-chain structure, which are linked by π-π interactions into a 2D supramolecular layer. Compounds 4-5 display a 2D network structure. Neighboring layers of 4 are extended into a 3D supramolecular architecture through hydrogen bonding. The structural diversity of these compounds is attributed to the effect of ancillary N-donor ligands and coordination modes of H2bzgluO. Luminescent properties of 1-5 were studied at room temperature. Circular dichroism of compounds 1, 2 and 5 were investigated.

η2-SO2 Linkage Photoisomer of an Osmium Coordination Complex.

Science.gov (United States)

Cole, Jacqueline M; Velazquez-Garcia, Jose de J; Gosztola, David J; Wang, SuYin Grass; Chen, Yu-Sheng

2018-03-05

We report the discovery of an η 2 -SO 2 linkage photoisomer in the osmium pentaammine coordination complex, [Os(NH 3 ) 5 (SO 2 )][Os(NH 3 ) 5 (HSO 3 )]Cl 4 (1). Its dark- and light-induced crystal structures are determined via synchrotron X-ray crystallography, at 100 K, where the photoinduced state is metastable in a single crystal that has been stimulated by 505 nm light for 2.5 h. The SO 2 photoisomer in the [Os(NH 3 ) 5 (SO 2 )] 2+ cation contrasts starkly with the photoinactivity of the HSO 3 ligand in its companion [Os(NH 3 ) 5 (HSO 3 )] + cation within the crystallographic asymmetric unit of this single crystal. Panchromatic optical absorption characteristics of this single crystal are revealed in both dark- and light-induced states, using concerted absorption spectroscopy and optical microscopy. Its absorption halves across most of its visible spectrum, upon exposure to 505 nm light. The SO 2 ligand seems to be responsible for this photoinduced bleaching effect, judging from a comparison of the dark- and light-induced crystal structures of 1. The SO 2 photoisomerism is found to be thermally reversible, and so 1 presents a rare example of an osmium-based solid-state optical switch. Such switching in an osmium complex is significant because bottom-row transition metals stand to offer linkage photoisomerism with the greatest photoconversion levels and thermal stability. The demonstration of η 2 -SO 2 bonding in this complex also represents a fundamental contribution to osmium coordination chemistry.

Rethinking Sensitized Luminescence in Lanthanide Coordination Polymers and MOFs: Band Sensitization and Water Enhanced Eu Luminescence in [Ln(C15H9O5)3(H2O)3]n (Ln = Eu, Tb).

Science.gov (United States)

Einkauf, Jeffrey D; Kelley, Tanya T; Chan, Benny C; de Lill, Daniel T

2016-08-15

A coordination polymer [Ln(C15H9O9)3(H2O)3]n (1-Ln = Eu(III), Tb(III)) assembled from benzophenonedicarboxylate was synthesized and characterized. The organic component is shown to sensitize lanthanide-based emission in both compounds, with quantum yields of 36% (Eu) and 6% (Tb). Luminescence of lanthanide coordination polymers is currently described from a molecular approach. This methodology fails to explain the luminescence of this system. It was found that the band structure of the organic component rather than the molecular triplet state was able to explain the observed luminescence. Deuterated (Ln(C15H9O9)3(D2O)3) and dehydrated (Ln(C15H9O9)3) analogues were also studied. When bound H2O was replaced by D2O, lifetime and emission increased as expected. Upon dehydration, lifetimes increased again, but emission of 1-Eu unexpectedly decreased. This reduction is reasoned through an unprecedented enhancement effect of the compound's luminescence by the OH/OD oscillators in the organic-to-Eu(III) energy transfer process.

Evaluation of the efficacy of radiation-modifying compounds using γH2AX as a molecular marker of DNA double-strand breaks.

Science.gov (United States)

Mah, Li-Jeen; Orlowski, Christian; Ververis, Katherine; Vasireddy, Raja S; El-Osta, Assam; Karagiannis, Tom C

2011-01-25

Radiation therapy is a widely used therapeutic approach for cancer. To improve the efficacy of radiotherapy there is an intense interest in combining this modality with two broad classes of compounds, radiosensitizers and radioprotectors. These either enhance tumour-killing efficacy or mitigate damage to surrounding non-malignant tissue, respectively. Radiation exposure often results in the formation of DNA double-strand breaks, which are marked by the induction of H2AX phosphorylation to generate γH2AX. In addition to its essential role in DDR signalling and coordination of double-strand break repair, the ability to visualize and quantitate γH2AX foci using immunofluorescence microscopy techniques enables it to be exploited as an indicator of therapeutic efficacy in a range of cell types and tissues. This review will explore the emerging applicability of γH2AX as a marker for monitoring the effectiveness of radiation-modifying compounds.

Neutral coordination polymers based on a metal-mono(dithiolene) complex: synthesis, crystal structure and supramolecular chemistry of [Zn(dmit)(4,4'-bpy)]n, [Zn(dmit)(4,4'-bpe)]n and [Zn(dmit)(bix)]n (4,4'-bpy = 4,4'-bipyridine, 4,4'-bpe = trans-1,2-bis(4-pyridyl)ethene, bix = 1,4-bis(imidazole-1-ylmethyl)-benzene.

Science.gov (United States)

Madhu, Vedichi; Das, Samar K

2011-12-28

This article describes a unique synthetic route that enables a neutral mono(dithiolene)metal unit, {Zn(dmit)}, to link with three different organic molecules, resulting in the isolation of a new class of neutral coordination polymers. The species {Zn(dmit)} coordinates with 4,4'-bipyridine (4,4'-bpy), trans-1,2-bis(4-pyridyl)ethene (4,4'-bpe) and 1,4-bis(imidazole-1-ylmethyl)-benzene (bix) as linkers giving rise to the formation of coordination polymers [Zn(dmit)(4,4'-bpy)](n) (1), [Zn(dmit)(4,4'-bpe)](n) (2) and [Zn(dmit)(bix)](n) (3) respectively. Compounds 1-3 were characterized by elemental analyses, IR, diffuse reflectance and single crystal X-ray diffraction studies. Compounds 1 and 3 crystallize in the monoclinic space group P2(1)/n, whereby compound 2 crystallizes in triclinic space group P1[combining macron]. In the present study, we chose three linkers 4,4'-bpy, 4,4'-bpe and bix (see , respectively, for their structural drawings), that differ in terms of their molecular dimensions. The crystal structures of compounds 1-3 are described here in terms of their supramolecular diversities that include π-π interactions, not only among aromatic stacking (compounds 1 and 3), but also between an aromatic ring and an ethylenic double bond (compound 2). The electronic absorption spectroscopy of compounds 1-3 support these intermolecular π-π interactions. This journal is © The Royal Society of Chemistry 2011

Structures and Spectroscopy Studies of Two M(II-Phosphonate Coordination Polymers Based on Alkaline Earth Metals (M = Ba, Mg

Directory of Open Access Journals (Sweden)

Kui-Rong Ma

2013-01-01

Full Text Available The two examples of alkaline-earth M(II-phosphonate coordination polymers, [Ba2(L(H2O9]·3H2O (1 and [Mg1.5(H2O9]·(L-H21.5·6H2O (2 (H4L = H2O3PCH2N(C4H8NCH2PO3H2, N,N′-piperazinebis(methylenephosphonic acid, (L-H2 = O3PH2CHN(C4H8NHCH2PO3 have been hydrothermally synthesized and characterized by elemental analysis, FT-IR, PXRD, TG-DSC, and single-crystal X-ray diffraction. Compound 1 possesses a 2D inorganic-organic alternate arrangement layer structure built from 1D inorganic chains through the piperazine bridge, in which the ligand L−4 shows two types of coordination modes reported rarely at the same time. In 1, both crystallographic distinct Ba(1 and Ba(2 ions adopt 8-coordination two caps and 9-coordination three caps triangular prism geometry structures, respectively. Compound 2 possesses a zero-dimensional mononuclear structure with two crystallographic distinct Mg(II ions. Free metal cations   [MgO6]n2+ and uncoordinated anions (L-H2n2- are joined together by static electric force. Results of photoluminescent measurement indicate three main emission bands centered at 300 nm, 378.5 nm, and 433 nm for 1 and 302 nm, 378 nm, and 434.5 nm for 2 (λex=235 nm, respectively. The high energy emissions could be derived from the intraligand π∗-n transition stations of H4L (310 nm and 382 nm, λex=235 nm, while the low energy emission (>400 nm of 1-2 may be due to the coordination effect with metal(II ions.

Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

Science.gov (United States)

Altman, Alison B; Pemmaraju, C D; Camp, Clément; Arnold, John; Minasian, Stefan G; Prendergast, David; Shuh, David K; Tyliszczak, Tolek

2015-08-19

Polarized aluminum K-edge X-ray absorption near edge structure (XANES) spectroscopy and first-principles calculations were used to probe electronic structure in a series of (BDI)Al, (BDI)AlX2, and (BDI)AlR2 coordination compounds (X = F, Cl, I; R = H, Me; BDI = 2,6-diisopropylphenyl-β-diketiminate). Spectral interpretations were guided by examination of the calculated transition energies and polarization-dependent oscillator strengths, which agreed well with the XANES spectroscopy measurements. Pre-edge features were assigned to transitions associated with the Al 3p orbitals involved in metal-ligand bonding. Qualitative trends in Al 1s core energy and valence orbital occupation were established through a systematic comparison of excited states derived from Al 3p orbitals with similar symmetries in a molecular orbital framework. These trends suggested that the higher transition energies observed for (BDI)AlX2 systems with more electronegative X(1-) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes an increase in the attractive potential of the Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals. For (BDI)Al and (BDI)AlH2 the experimental Al K-edge XANES spectra and spectra calculated using the eXcited electron and Core-Hole (XCH) approach had nearly identical energies for transitions to final state orbitals of similar composition and symmetry. These results implied that the charge distributions about the aluminum atoms in (BDI)Al and (BDI)AlH2 are similar relative to the (BDI)AlX2 and (BDI)AlMe2 compounds, despite having different formal oxidation states of +1 and +3, respectively. However, (BDI)Al was unique in that it exhibited a low-energy feature that was attributed to transitions into a low-lying p-orbital of b1 symmetry that is localized on Al and orthogonal to the (BDI)Al plane. The presence of this low-energy unoccupied molecular orbital on electron-rich (BDI)Al distinguishes

Low-temperature heat capacity and the standard molar enthalpy of formation of compound chromium(III) tri(pyrazine-2-carboxylate)

International Nuclear Information System (INIS)

Gao, Shengli; Zhang, Sheng; Chen, Sanping; Yang, Desuo

2012-01-01

Highlights: ► Low-temperature heat capacities of chromium(III) tri(pyrazine-2-carboxylate) were measured from 78 to 400 K. ► Thermodynamic functions of the compound at 298.15 K were calculated based on low-temperature heat capacity. ► The standard molar enthalpy of formation of the target was determined to be −1207.86 ± 3.39 kJ mol −1 through a designed thermochemical cycle. - Abstract: Low-temperature heat capacities of the coordination compound, chromium(III) tri(pyrazine-2-carboxylate), formulated as Cr(pyza) 3 (pyza = pyrazine-2-carboxylate), were measured by a precision automated adiabatic calorimeter over the temperature range of 78–400 K. A polynomial equation of heat capacities as a function of the temperature was fitted by the least square method. Based on the fitted polynomial equation, the fitted heat capacities and thermodynamic functions of the compound relative to the standard reference temperature 298.15 K were calculated at the interval of 5 K. In accordance with a reasonable thermochemical cycle designed, the standard molar enthalpy of formation of the title complex was determined to be −1207.86 ± 3.39 kJ mol −1 by an isoperibol solution–reaction calorimeter.

XAFS study of copper(II) complexes with square planar and square pyramidal coordination geometries

Science.gov (United States)

Gaur, A.; Klysubun, W.; Nitin Nair, N.; Shrivastava, B. D.; Prasad, J.; Srivastava, K.

2016-08-01

X-ray absorption fine structure of six Cu(II) complexes, Cu2(Clna)4 2H2O (1), Cu2(ac)4 2H2O (2), Cu2(phac)4 (pyz) (3), Cu2(bpy)2(na)2 H2O (ClO4) (4), Cu2(teen)4(OH)2(ClO4)2 (5) and Cu2(tmen)4(OH)2(ClO4)2 (6) (where ac, phac, pyz, bpy, na, teen, tmen = acetate, phenyl acetate, pyrazole, bipyridine, nicotinic acid, tetraethyethylenediamine, tetramethylethylenediamine, respectively), which were supposed to have square pyramidal and square planar coordination geometries have been investigated. The differences observed in the X-ray absorption near edge structure (XANES) features of the standard compounds having four, five and six coordination geometry points towards presence of square planar and square pyramidal geometry around Cu centre in the studied complexes. The presence of intense pre-edge feature in the spectra of four complexes, 1-4, indicates square pyramidal coordination. Another important XANES feature, present in complexes 5 and 6, is prominent shoulder in the rising part of edge whose intensity decreases in the presence of axial ligands and thus indicates four coordination in these complexes. Ab initio calculations were carried out for square planar and square pyramidal Cu centres to observe the variation of 4p density of states in the presence and absence of axial ligands. To determine the number and distance of scattering atoms around Cu centre in the complexes, EXAFS analysis has been done using the paths obtained from Cu(II) oxide model and an axial Cu-O path from model of a square pyramidal complex. The results obtained from EXAFS analysis have been reported which confirmed the inference drawn from XANES features. Thus, it has been shown that these paths from model of a standard compound can be used to determine the structural parameters for complexes having unknown structure.

2-Aminopyridinium (2-aminopyridinetrichloridonickelate(II

Directory of Open Access Journals (Sweden)

T. Balasubramanian

2008-04-01

Full Text Available In the title compound, (C5H7N2[NiCl3(C5H6N2], the NiII atom is four-coordinated by three chloride anions and one N atom of a 2-aminopyridine ligand, forming a distorted tetrahedral coordination. In the crystal structure, cations and complex anions are linked into chains along the a, b and c axes by N—H...Cl hydrogen bonds, leading to the formation of a three-dimensional framework.

Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties

International Nuclear Information System (INIS)

Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu

2013-01-01

Three lead coordination polymers, [PbCl(C 10 H 6 N 3 O 4 )(H 2 O)·H 2 O] n (1), [Pb(C 10 H 6 N 3 O 4 ) 2 (H 2 O)] n (2) and [Pb 3 (C 10 H 5 N 3 O 4 ) 3 ] n (3) (C 10 H 7 N 3 O 4 =2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. In 1, Cl anions connected neighboring wave-like 2D layers, which are constructed with left- and right-handed helical chains, into a 3D network structure with a (6 3 )(6 5 ·8) topology. In 2, Pb cations are linked into a 3D 6 6 network with left- and right-handed helixes by μ 2 -bridging C 10 H 6 N 3 O 4 − ligands. In 3, C 10 H 5 N 3 O 4 2− ligands link Pb 6 O 12 clusters into a 3D (4 12 ·6 3 ) network. Their fluorescent properties were also investigated. - Graphical abstract: Three 3D lead compounds based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid have been hydrothermally synthesized. Four new coordination modes of the organic ligand are first reported. Display Omitted - Highlights: • Three new Pb(II) complexes have been synthesized and characterized. • Left- and right-handed helical chains can be found in the 3D networks of 1 and 2. • Pb 6 O 12 clusters are connected into (4 12 ·6 3 ) network in 3

Bis(η2-ethylene[azanidediylbis(diisopropylphosphine selenide-κ2Se,Se′]iridium(III

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Qian-Feng Zhang

2009-12-01

Full Text Available In the title compound, [Ir(η2-C2H42(C12H28NP2Se2], the central Ir atom is chelated by the [N(iPr2PSe2]− ligand via two Se atoms and is coordinated by two η2-ethylene molecules via four C atoms in an octahedral coordination geometry.

Crystal structure of the Ce2Ni2Zn15 compound

International Nuclear Information System (INIS)

Opainich, I.M.; Pavlyuk, V.V.; Bodak, O.I.; Cherny, R.; Yvon, K.

1996-01-01

A structure of a new ternary compound of the composition Ce2Ni2Zn15 (sp.gr.R3-barm,a=0.9080(3) nm, c=1.3294(3) nm) was determined on single-crystal and powder specimens. The study was performed on a Philips PW1100 automatic diffractometer and a DRON-4.07 powder diffractometer. The Ce2Ni2Zn15 compound is crystallized in the Ce2Al2Co15 structure type with the aluminum positions being occupied by nickel and cobalt positions being occupied by zinc

The iron member of the CPO-27 coordination polymer series: Synthesis, characterization, and intriguing redox properties

DEFF Research Database (Denmark)

Märcz, Matthias; Johnsen, Rune; Dietzel, Pascal D.C.

2012-01-01

The microporous coordination polymer CPO-27-Fe was synthesized from iron salts and 2,5-dihydroxyterephthalic acid by microwave assisted solvothermal synthesis. The crystal structures of the as-synthesized compounds were determined by Rietveld refinement from powder X-ray diffraction data using...

[H2en]2{La2M(SO4)6(H2O)2} (M=Co, Ni): First organically templated 3d-4f mixed metal sulfates

International Nuclear Information System (INIS)

Yuan Yanping; Wang Ruiyao; Kong Deyuan; Mao Jianggao; Clearfield, Abraham

2005-01-01

The first organically templated 3d-4f mixed metal sulfates, [H 2 en] 2 {La 2 M(SO 4 ) 6 (H 2 O) 2 } (M=Co 1, Ni 2) have been synthesized and structurally determined from non-merohedrally twinned crystals. The two compounds are isostructural and their structures feature a three-dimensional anionic network formed by the lanthanum(III) and nickel(II) ions bridged by sulfate anions. The La(III) ions in both compounds are 10-coordinated by four sulfate anions in bidentate chelating fashion, and two sulfate anions in a unidentate fashion. The transition metal(II) ion is octahedrally coordinated by six oxygens from four sulfate anions and two aqua ligands. The doubly protonated enthylenediamine cations are located at the tunnels formed by 8-membered rings (four La and four sulfate anions)

Solvent induced synthesis, structure and properties of coordination polymers based on 5-hydroxyisophthalic acid as linker and 1,10-phenanthroline as auxiliary ligand

Energy Technology Data Exchange (ETDEWEB)

Kariem, Mukaddus; Yawer, Mohd; Sheikh, Haq Nawaz, E-mail: hnsheikh@rediffmail.com

2015-11-15

Three new coordination polymers [Mn(hip)(phen) (H{sub 2}O)]{sub n} (1), [Co(hip)(phen) (H{sub 2}O)]{sub n} (2), and [Cd(hip) (phen) (H{sub 2}O)]{sub n} (3) (H{sub 2}hip=5-hydroxyisophthalic acid; phen=1,10-phenanthroline) have been synthesized by solvo-hydrothermal method using diethyl formamide-water (DEF-H{sub 2}O) as solvent system. Single-crystal X-ray diffraction analysis reveals that all three coordination polymers 1, 2 and 3 crystallize in monoclinic space group P2/n. Metal ions are inter-connected by hydroxyisophthalate anions forming zig-zag 1D chain. 1D chains are further inter-connected by hydrogen bonding and π–π stacking interactions leading to 3D supramolecular architecture. Hydrogen-bonding and π–π stacking provide thermal stability to polymers. Compounds 1 and 2 are paramagnetic at room temperature and variable temperature magnetic moment measurements revealed weak ferromagnetic interactions between metal ions at low temperature. Compound 3 exhibits excellent photoluminescence with large Stokes shift. - Graphical abstract: 1D helical chains of coordination polymers were synthesized by solvo-hydrothermal reaction of 5-hydroxyisopthalic acid and 1,10-phenanthroline with MnCl{sub 2}·4H{sub 2}O / CoCl{sub 2}·6H{sub 2}O / Cd(NO{sub 3}){sub 2}·6H{sub 2}O. - Highlights: • Solvent induced synthesis of three coordination polymers with 1D zig-zag structure. • Crystal structures of coordination polymers are reported and discussed. • 1,10-Phenanthroline influences magnetic and luminescent properties of polymers. • Coordination polymer of Cd is luminescent exhibiting large Stokes shift.

Near-Horizon Geodesics for Astrophysical and Idealised Black Holes: Coordinate Velocity and Coordinate Acceleration

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Petarpa Boonserm

2018-05-01

Full Text Available Geodesics (by definition have an intrinsic 4-acceleration zero. However, when expressed in terms of coordinates, the coordinate acceleration d 2 x i / d t 2 can very easily be non-zero, and the coordinate velocity d x i / d t can behave unexpectedly. The situation becomes extremely delicate in the near-horizon limit—for both astrophysical and idealised black holes—where an inappropriate choice of coordinates can quite easily lead to significant confusion. We shall carefully explore the relative merits of horizon-penetrating versus horizon-non-penetrating coordinates, arguing that in the near-horizon limit the coordinate acceleration d 2 x i / d t 2 is best interpreted in terms of horizon-penetrating coordinates.

Synthesis and crystal structures of nitratocobaltates Na2[Co(NO3)4], K2[Co(NO3)4], and Ag[Co(NO3)3] and potassium nitratonickelate K2[Ni(NO3)4

International Nuclear Information System (INIS)

Morozov, I. V.; Fedorova, A. A.; Albov, D. V.; Kuznetsova, N. R.; Romanov, I. A.; Rybakov, V. B.; Troyanov, S. I.

2008-01-01

The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na 2 [Co(NO 3 ) 4 ] (I) and K 2 [Co(NO 3 ) 4 ] (II)] and a chain structure [Ag[Co(NO 3 ) 3 ] (III) and K 2 [Ni(NO 3 ) 4 ] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO 3 ) 4 ] 2− of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO 3 ) 4 ] 2− of the crystal structure of compound II, one of the four NO 3 groups is monodentate and the other NO 3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO 3 ) 2 (NO 3 ) 2/2 ] − and [Ni(NO 3 ) 3 (NO 3 ) 2/2 ] 2− , respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized.

Synthesis and crystal structures of nitratocobaltates Na2[Co(NO3)4], K2[Co(NO3)4], and Ag[Co(NO3)3] and potassium nitratonickelate K2[Ni(NO3)4

International Nuclear Information System (INIS)

Morozov, I. V.; Fedorova, A. A.; Albov, D. V.; Kuznetsova, N. R.; Romanov, I. A.; Rybakov, V. B.; Troyanov, S. I.

2008-01-01

The cobalt(II) and nickel(II) nitrate complexes with an island structure (Na 2 [Co(NO 3 ) 4 ] (I) and K 2 [Co(NO 3 ) 4 ] (II)] and a chain structure [Ag[Co(NO 3 ) 3 ] (III) and K 2 [Ni(NO 3 ) 4 ] (IV)] are synthesized and investigated using X-ray diffraction. In the anionic complex [Co(NO 3 ) 4 ] 2- of the crystal structure of compound I, the Co coordination polyhedron is a twisted tetragonal prism formed by the O atoms of four asymmetric bidentate nitrate groups. In the anion [Co(NO 3 ) 4 ] 2- of the crystal structure of compound II, one of the four NO 3 groups is monodentate and the other NO 3 groups are bidentate (the coordination number of the cobalt atom is equal to seven, and the cobalt coordination polyhedron is a monocapped trigonal prism). The crystal structures of compounds III and IV contain infinite chains of the compositions [Co(NO 3 ) 2 (NO 3 ) 2/2 ] - and [Ni(NO 3 ) 3 (NO 3 ) 2/2 ] 2- , respectively. In the crystal structure of compound III, seven oxygen atoms of one monodentate and three bidentate nitrate groups form a dodecahedron with an unoccupied vertex of the A type around the Co atom. In the crystal structure of compound IV, the octahedral polyhedron of the Ni atom is formed by five nitrate groups, one of which is terminal bidentate. The data on the structure of Co(II) coordination polyhedra in the known nitratocobaltates are generalized

In vivo fluorescent detection of Fe-S clusters coordinated by human GRX2.

Science.gov (United States)

Hoff, Kevin G; Culler, Stephanie J; Nguyen, Peter Q; McGuire, Ryan M; Silberg, Jonathan J; Smolke, Christina D

2009-12-24

A major challenge to studying Fe-S cluster biosynthesis in higher eukaryotes is the lack of simple tools for imaging metallocluster binding to proteins. We describe the first fluorescent approach for in vivo detection of 2Fe2S clusters that is based upon the complementation of Venus fluorescent protein fragments via human glutaredoxin 2 (GRX2) coordination of a 2Fe2S cluster. We show that Escherichia coli and mammalian cells expressing Venus fragments fused to GRX2 exhibit greater fluorescence than cells expressing fragments fused to a C37A mutant that cannot coordinate a metallocluster. In addition, we find that maximal fluorescence in the cytosol of mammalian cells requires the iron-sulfur cluster assembly proteins ISCU and NFS1. These findings provide evidence that glutaredoxins can dimerize within mammalian cells through coordination of a 2Fe2S cluster as observed with purified recombinant proteins. Copyright 2009 Elsevier Ltd. All rights reserved.

Synthesis, crystal structures, and urease inhibition of an acetohydroxamate-coordinated oxovanadium(V) complex derived from N'-(3-bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide.

Science.gov (United States)

Qu, Dan; Niu, Fang; Zhao, Xinlu; Yan, Ke-Xiang; Ye, Yu-Ting; Wang, Jia; Zhang, Mei; You, Zhonglu

2015-05-01

A new benzohydrazone compound N'-(3-bromo-2-hydroxybenzylidene)-4-methoxybenzohydrazide (H₂L) was prepared. Reaction of H₂L and acetohydroxamic acid (HAHA) with VO(acac)₂ in methanol gave the complex [VOL(AHA)]. Both H₂L and the oxovanadium complex were characterized by elemental analysis, IR, UV-vis and (1)H NMR spectra, and single crystal X-ray diffraction. H₂L was also characterized by high-resolution mass spectrum. Thermal analysis of the oxovanadium complex was carried out. The benzohydrazone ligand, in its dianionic form, coordinates to V atom through the phenolate oxygen, imino nitrogen and enolate oxygen. The acetohydroxamic acid coordinates to V atom through the carbonyl oxygen and deprotonated hydroxyl oxygen. The V atom is in octahedral coordination. H₂L, HAHA and the oxovanadium complex were tested for their urease inhibitory activities. The percent inhibition at concentration of 100 μmol·L(-1) on Helicobacter pylori urease is 78% for the oxovanadium complex. The IC₅₀ value for the complex is 36.5 μmol·L(-1). Molecular docking study was performed to study the inhibition. Copyright © 2015 Elsevier Ltd. All rights reserved.

Spectroscopic, thermal and biological studies of coordination

Indian Academy of Sciences (India)

Spectroscopic, thermal and biological studies of coordination compounds of sulfasalazine drug: Mn(II), Hg(II), Cr(III), ZrO(II), VO(II) and Y(III) transition metal ... The thermal decomposition of the complexes as well as thermodynamic parameters ( *}, *, * and *) were estimated using Coats–Redfern and ...

Bioassay studies of metal(II complexes of 2,2'-(ethane-1,2-diyldiiminodiacetic acid

Directory of Open Access Journals (Sweden)

Saeed-ur-Rehman

2011-08-01

Full Text Available Ni(II, Cu(II and Zn(II coordination compounds with modified diammine 2,2'-(ethane-1,2-diyldiiminodiacetic acid (EDDA were prepared and characterized. Coordination complexes of the EDDA were characterized by physical measurements including elemental analysis, IR, UV-Visible, magnetic susceptibilities and conductance measurements. The complexes were screened against four pathogenic bacteria like Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae and Staphylococcus aureus and their concentrations for maximum inhibition zones were obtained.

EPR investigations on technetium compounds

International Nuclear Information System (INIS)

Abram, U.; Munze, R.; Kirmse, R.; Stach, J.

1986-01-01

Stimulated by the widespread use of the isotope /sup 99m/Tc in the field of nuclear medicine, there has been a substantial growth of interest in the chemistry of this man-made element. A particular need emerges for analytical methods allowing solution investigations of coordination compounds of technetium with low substance use. Considering these facts, Electron Paramagnetic Resonance Spectroscopy (EPR) appears to be a very suitable method because only very small amounts of the compounds are needed (lower than 1 mg). The resulting spectra give information regarding the valence state, symmetry and bonding properties of the compounds under study

Beyond sixfold coordinated Si in SiO2 glass at ultrahigh pressures.

Science.gov (United States)

Prescher, Clemens; Prakapenka, Vitali B; Stefanski, Johannes; Jahn, Sandro; Skinner, Lawrie B; Wang, Yanbin

2017-09-19

We investigated the structure of SiO 2 glass up to 172 GPa using high-energy X-ray diffraction. The combination of a multichannel collimator with diamond anvil cells enabled the measurement of structural changes in silica glass with total X-ray diffraction to previously unachievable pressures. We show that SiO 2 first undergoes a change in Si-O coordination number from fourfold to sixfold between 15 and 50 GPa, in agreement with previous investigations. Above 50 GPa, the estimated coordination number continuously increases from 6 to 6.8 at 172 GPa. Si-O bond length shows first an increase due to the fourfold to sixfold coordination change and then a smaller linear decrease up to 172 GPa. We reconcile the changes in relation to the oxygen-packing fraction, showing that oxygen packing decreases at ultrahigh pressures to accommodate the higher than sixfold Si-O coordination. These results give experimental insight into the structural changes of silicate glasses as analogue materials for silicate melts at ultrahigh pressures.

Preparation and crystal structure of carbonyltris (diethyldithiocarbamato) technetium (III): an unexpected source of co-ordinated carbon monoxide

International Nuclear Information System (INIS)

Baldas, J.; Bonnyman, J.; Pojer, P.M.; Williams, G.A.

1981-10-01

Tc(S 2 CNEt 2 ) 3 CO has been prepared by the reduction of NH 4 TcO 4 with formamidinesulphinic acid in the presence of NaS 2 CNEt 2 . It is suggested that the co-ordinated carbon monoxide is formed after co-ordination of formamidinesulphinic acid, or some decomposition product, with technetium. The crystal structure of Tc(S 2 CNEt 2 ) 3 CO has been determined by single-crystal X-ray diffraction methods at 17 deg. C. Diffractometry has provided significant Bragg intensities for 2045 independent reflections and the structure has been refined by full-matrix least-squares methods to R 0.049. The compound is isostructural with the rhenium analogue and consists of discrete Tc(S 2 CNEt 2 ) 3 CO molecules, each containing a terminal linear CO group. The technetium atom has a seven co-ordinate environment which is best described as a distorted pentagonal bipyramid

Solvent-regulated assemblies of four Zn(II) coordination polymers constructed by flexible tetracarboxylates and pyridyl ligands

Science.gov (United States)

Fang, Kang; He, Xiang; Shao, Min; Li, Ming-Xing

2016-08-01

Four unique complexes with diverse coordination architectures were synthesized upon complexation of 5,5-(1,4-phenylenebis (methylene))bis (oxy)- diisophthalic acid (H4L) with zinc ions by using different solvent. namely, {[Zn(H2L) (bpp)]·DEF}n (1), {[Zn2(L) (bpp)2]·4H2O}n (2), {[Zn2(L) (pdp)2]·3H2O·DEF}n (3), {[Zn2(L) (pdp)2].4H2O}n (4). Complexes 1,2 and 3,4 are obtained by varying solvents to control their structures. The size of solvent molecular plays an important role to control different structure of these compounds. Compound 1 is 2D waved framework with (4, 4) grid layer as sql topology. Compound 3 displays a (4,6)-connected 2-nodal net with a fsc topology. Compounds 2 and 4 are all three-dimensional network simplified as (4,4)-connected 2-nodal net with a bbf topology. The photochemical properties of compounds 1-4 were tested in the solid state at room temperature, owing to their strong luminescent emissions, complexes 1-4 are good candidates for photoactive materials.

Studies on coordination chemistry and bioactivity of metal complexes of a bidentate NN schiff base, (2-pyridyl-methylene)(phenyl) hydrazine, produced from the condensation of pyridine-2-carboxaldehyde with phenylhydrazine

International Nuclear Information System (INIS)

Tarafder, M.T.H.; Zakaria, C.M.; Idrus, Razmi Mohd; Crouse, Karen A.; Ali, A.M.; Yamin, B.M.; Fun, H.-K.

2003-07-01

A bidentate Schiff base, (2-pyridyl-methylene)(phenyl) hydrazine, with NN donor sequence, was isolated from the condensation of pyridine-2-carboxaldehyde with phenylhydrazine in ethanol. Metal complexes of this ligand with Ni(II), Zn(It), and Cu(n) ions were synthesized and characterized by a variety of physico-chemical techniques. The structure of the Schiff base was solved by X-ray diffraction studies, which indicated that it was monoclinic with a space group of C2/c. The complexes were all four coordinated. The compounds were tested against four pathogenic bacteria and fungi. The nickel complex, [Ni(NN) 2 Cl 2 ], in particular, was found to be active against all the fungi tested. The complexes were however inactive against leukemic cell lines (CEM-SS). (author)

Crystal structure of catena-poly[[aqua(2,2′:6′,2′′-terpyridine-κ3N,N′,N′′cobalt(II]-μ-cyanido-κ2N:C-[dicyanidoplatinum(II]-μ-cyanido-κ2C:N

Directory of Open Access Journals (Sweden)

Frankie White

2014-09-01

Full Text Available The title compound, [Co(C15H11N3(H2O{Pt(CN4}]n, is a one-dimensional coordination polymer formed under hydrothermal reaction conditions. The CoII site has sixfold coordination with a distorted octahedral geometry, while the PtII ion is coordinated by four cyanide groups in an almost regular square-planar geometry. The compound contains twofold rotation symmetry about its CoII ion, the water molecule and the terpyridine ligand, and the PtII atom resides on an inversion center. trans-Bridging by the tetracyanidoplatinate(II anions links the CoII cations, forming chains parallel to [-101]. Additionally, each CoII atom is coordinated by one water molecule and one tridentate 2,2′:6′,2′′-terpyridine ligand. O—H...N hydrogen-bonding interactions are found between adjacent chains and help to consolidate the crystal packing. In addition, relatively weak π–π stacking interactions exist between the terpyridine ligands of adjacent chains [interplanar distance = 3.464 (7 Å]. No Pt...Pt interactions are observed in the structure.

Complexes of Zn(2) and Cd(2) with 2-methyl-benzimidazole

Energy Technology Data Exchange (ETDEWEB)

Slyusarenko, K F; Artemenko, M V; Pokhodnya, G A; Kononenko, O.M. (Kievskij Tekhnologicheskij Inst. Pishchevoj Promyshlennosti (Ukrainian SSR))

1978-07-01

Coordination compounds of Zn(2) and Cd(2) salts with 2-methyl-benzimidazole (MBI) of 2MBIxMeX/sub 2/ composition, where Me is Zn (2), Cd (2); X is NO/sub 3//sup -/, CH/sub 3/COO/sup -/, CL/sup -/, Br/sup -/, I/sup -/, 1/2SO/sub 4//sup -2/, as well as acid compounds of (MBIH)/sub 2/(CdX/sub 4/) composition, where X is Cl/sup -/, Br/sup -/, I/sup -/, have been obtained and investigated. The synthetized compounds are of white colour, they are stable in air, soluble in alcohols, decomposed by water. Decomposition temperatures for most of the Cd(2) compounds lie above 250 deg C. Infrared spectra and diffractograms of these compounds have been studied. From the curves of radial distribution of atomic density, the ionic nature of the bonding of halide groups in the complexes has been established.

2D co-ordinate transformation based on a spike timing-dependent plasticity learning mechanism.

Science.gov (United States)

Wu, QingXiang; McGinnity, Thomas Martin; Maguire, Liam; Belatreche, Ammar; Glackin, Brendan

2008-11-01

In order to plan accurate motor actions, the brain needs to build an integrated spatial representation associated with visual stimuli and haptic stimuli. Since visual stimuli are represented in retina-centered co-ordinates and haptic stimuli are represented in body-centered co-ordinates, co-ordinate transformations must occur between the retina-centered co-ordinates and body-centered co-ordinates. A spiking neural network (SNN) model, which is trained with spike-timing-dependent-plasticity (STDP), is proposed to perform a 2D co-ordinate transformation of the polar representation of an arm position to a Cartesian representation, to create a virtual image map of a haptic input. Through the visual pathway, a position signal corresponding to the haptic input is used to train the SNN with STDP synapses such that after learning the SNN can perform the co-ordinate transformation to generate a representation of the haptic input with the same co-ordinates as a visual image. The model can be applied to explain co-ordinate transformation in spiking neuron based systems. The principle can be used in artificial intelligent systems to process complex co-ordinate transformations represented by biological stimuli.