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Sample records for 2-2-dimethylpropane

  1. {4,4′,6,6′-Tetraiodo-2,2′-[(2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene]diphenolato}nickel(II

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2012-07-01

    Full Text Available The asymmetric unit of the title compound, [Ni(C19H16I4N2O2], comprises half of a Schiff base complex. The NiII atom is located on a twofold rotation axis which also bisects the central C atom of the 2,2-dimethylpropane group of the ligand. The geometry around the NiII atom is distorted square-planar, with a dihedral angle of 21.7 (3° between the symmetry-related N/Ni/O coordination planes. The dihedral angle between the symmetry-related benzene rings is 27.9 (3°. In the crystal, short intermolecular I...I [3.8178 (9 and 3.9013 (10 Å] interactions are present.

  2. {6,6′-Diethoxy-2,2′-[2,2-dimethylpropane-1,3-diylbis(nitrilomethylidyne]diphenolato}nickel(II monohydrate

    Directory of Open Access Journals (Sweden)

    Hadi Kargar

    2009-04-01

    Full Text Available In the title complex, [Ni(C23H28N2O4]·H2O, the NiII ion is coordinated by the N2O2 unit of the tetradentate Schiff base ligand in a slightly distorted planar geometry. The asymmetric unit of the title compound comprises one complex molecule and a water molecule of crystallization. The H atoms of the water molecule make bifurcated intermolecular hydrogen bonds with the O atoms of the phenolate and ethoxy groups with R12(5 and R12(6 ring motifs, which may, in part, influence the molecular configuration. The dihedral angle between the two benzene rings is 31.43 (5°. The crystal structure is further stabilized by intermolecular C—H...O and C—H...π interactions, which link neighbouring molecules into one-dimensional extended chains along the a axis. An interesting feature of the crystal structure is the short intermolecular C...C [3.3044 (14 Å] contact which is shorter than the sum of the van der Waals radii.

  3. Synthesis, Spectroscopic and Ligand Field Properties of trans-Difluorobis(2,2-dimethylpropane-1,3-diamine)chromium(III) Perchlorate

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jong Ha; Ryoo, Keon Sang [Andong National University, Andong (Korea, Republic of); Lee, Sang Hak [Kyungpook National University, Daegu (Korea, Republic of)

    2011-01-15

    The infrared and electronic spectroscopic properties of the newly prepared complex show that the chromium atom is an octahedral environment, coordinated by two bidentate Me{sub 2}tn ligands and two fluorine atoms in trans positions. The ligand field analysis shows that the fluoride is strong σ-and π-donor and the nitrogen atoms of the Me{sub 2}tn ligand also have a strong σ-donor properties toward the chromium(III). Current studies in our laboratory on this compound indicate that the suitable crystals for X-ray analysis are not isolated until now. The mass spectrum, 2D [{sup 1}H, {sup 13}C] HSQC spectrum and crystal structural work including magnetic and conductance data will be reported later.

  4. Adsorption and diffusion of alkanes in CuBTC crystals investigated using infra-red microscopy and molecular simulations

    NARCIS (Netherlands)

    C. Chmelik; J. Kärger; M. Wiebcke; J. Caro; J.M. van Baten; R. Krishna

    2009-01-01

    The adsorption and intra-crystalline diffusion of n-butane (nC4), iso-butane (iC4), 2-methylbutane (2MB), and 2,2-dimethylpropane (neoP) in CuBTC (Cu-3(BTC)(2) where BTC = benzene-1,3,5-tricarboxylate) has been investigated using infrared microscopy (IRM), combined with molecular simulations. Both e

  5. The speed of sound in gases

    OpenAIRE

    Trusler, J.P.M.

    1984-01-01

    The speed of sound in various gases was measured using two different acoustic resonators. The first, a fixed-pathlength variable-frequency cylindrical resonator, was operated between 50 and 100 kHz, while the second, a spherical resonator of radius 60 mm, was operated between 2 and 15 kHz. The temperatures and pressures of the gases were accurately controlled and measured. Measurements were made on argon, xenon, helium, and 2,2-dimethylpropane at various temperatures betw...

  6. The Magnetic Shielding Polarizabilities of Some Tetrahedral Molecules

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    Paul Chittenden

    2000-09-01

    Full Text Available TMS is the commonest standard reference for both protons and 13C NMR spectroscopy. The Magnetic Shielding and its Polarizabilities, plus the static polarizability have been calculated for TMS, tetramethyl ammonium cation and 2,2-dimethylpropane. An investigation of continuum solvation effects on these highly symmetrical molecules, whose first surviving electric moment is the octopole, showed interaction with solvent makes little change to these magnetic properties. This small change is however consistent with both the high symmetry of the molecules and the available extensive experimental data for TMS. A rationalization of the signs and magnitudes of A in a sequence of related molecules has been suggested.

  7. Structural elucidation and physicochemical properties of mononuclear Uranyl(VI) complexes incorporating dianionic units

    Science.gov (United States)

    Azam, Mohammad; Velmurugan, Gunasekaran; Wabaidur, Saikh Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Al-Resayes, Saud I.; Al-Othman, Zeid A.; Venuvanalingam, Ponnambalam

    2016-01-01

    Two derivatives of organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2), where L = (2,2′-(1E,1′E)-(2,2-dimethylpropane-1,3-dyl)bis(azanylylidene, THF = Tetrahydrofuran, Alc = Alcohol), have been prepared. These complexes have been determined by elemental analyses, single crystal X-ray crystallography and various spectroscopic studies. Moreover, the structure of these complexes have also been studied by DFT and time dependent DFT measurements showing that both the complexes have distorted pentagonal bipyramidal environment around uranyl ion. TD-DFT results indicate that the complex 1 displays an intense band at 458.7 nm which is mainly associated to the uranyl centered LMCT, where complex 2 shows a band at 461.8 nm that have significant LMCT character. The bonding has been further analyzed by EDA and NBO. The photocatalytic activity of complexes 1 and 2 for the degradation of rhodamine-B (RhB) and methylene blue (MB) under the irradiation of 500W Xe lamp has been explored, and found more efficient in presence of complex 1 than complex 2 for both dyes. In addition, dye adsorption and photoluminescence properties have also been discussed for both complexes. PMID:27595801

  8. The gamma-ray spectra of 5-carbon alkane isomers in the positron annihilation process

    Science.gov (United States)

    Ma, Xiaoguang; Zhu, Yinghao; Liu, Yang

    2016-05-01

    The gamma-ray spectra of pentane (C5H12) and its two isomers, i.e., 2-Methylbutane (CH3C(CH3)HC2H5) and 2,2-Dimethylpropane (C(CH3)4) have been studied theoretically in the present work. The recent experimental gamma-ray spectra of these three molecules show that they have the same Doppler shifts, although their molecular structures are dramatically different. In order to reveal why the gamma-ray spectra of these molecules are less sensitive to the molecular structures, the one-dimensional gamma-ray spectra and spherically averaged momentum (SAM) distributions, the two-dimensional angular correlation of annihilation radiation (ACAR), and the three-dimensional momentum distributions of the positron-electron pair are studied. The one-centered momentum distributions of the electrons are found to play more important role than the multi-centered coordinate distributions. The present theoretical predictions have confirmed the experimental findings for the first time. The dominance of the inner valence electrons in the positron-electron annihilation process has also been suggested in the present work.

  9. Structural elucidation and physicochemical properties of mononuclear Uranyl(VI) complexes incorporating dianionic units.

    Science.gov (United States)

    Azam, Mohammad; Velmurugan, Gunasekaran; Wabaidur, Saikh Mohammad; Trzesowska-Kruszynska, Agata; Kruszynski, Rafal; Al-Resayes, Saud I; Al-Othman, Zeid A; Venuvanalingam, Ponnambalam

    2016-01-01

    Two derivatives of organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2), where L = (2,2'-(1E,1'E)-(2,2-dimethylpropane-1,3-dyl)bis(azanylylidene, THF = Tetrahydrofuran, Alc = Alcohol), have been prepared. These complexes have been determined by elemental analyses, single crystal X-ray crystallography and various spectroscopic studies. Moreover, the structure of these complexes have also been studied by DFT and time dependent DFT measurements showing that both the complexes have distorted pentagonal bipyramidal environment around uranyl ion. TD-DFT results indicate that the complex 1 displays an intense band at 458.7 nm which is mainly associated to the uranyl centered LMCT, where complex 2 shows a band at 461.8 nm that have significant LMCT character. The bonding has been further analyzed by EDA and NBO. The photocatalytic activity of complexes 1 and 2 for the degradation of rhodamine-B (RhB) and methylene blue (MB) under the irradiation of 500W Xe lamp has been explored, and found more efficient in presence of complex 1 than complex 2 for both dyes. In addition, dye adsorption and photoluminescence properties have also been discussed for both complexes. PMID:27595801