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Molecular simulations have been used to study the sorption and diffusion properties of carbon dioxide in a series of poly (amide-imide) (PAI) membranes containing oligo(tetrafluoroethene) segment with various numbers ( n = 0, 1, 2, 3, and 4) of tetrafluoroethene units. The solubility and self-diffusion coefficients were computed by the Grand Canonical Monte Carlo (GCMC) method and molecular dynamics (MD) simulations respectively. It was found that increasing the fluorine content of the polymer membrane reduced the associated glass transition temperature ( T) and led to an increase in diffusion coefficient of carbon dioxide. Results indicate that penetrant molecule's diffusion coefficient is strongly dependent on chain mobility. It is also noticed that the radial distribution functions (RDFs) are inconsistent with the d-spacings of PAIs calculated form X-ray data. This is also thought to be tied to the number of degrees of freedom of the chain. Finally, this study gives a useful insight into how PAIs with high fluorine content can be tailored with a high permeability to carbon dioxide. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011 [ABSTRACT FROM AUTHOR]

The title compound, [Li4(C21H46N8Si2)2, has been prepared and its structure determined. The whole molecule can be regarded as a molecular cage made up of the central eight-membered ring and six contiguous rings of three types. As the first example of a bridged amidinate-dicyanamide framework, this noteworthy structure and its electronic features are presented. [ABSTRACT FROM AUTHOR]

Describes the crystal structure of a type of organolithium compound via nuclear magnetic resonance spectra. Folded conformation of copper-silicon-nitrogen-lithium atoms; Copper-silicon bond length; Molecular structure; Distorted tetrahedral arrangement.

The title compound, a secondary enamine PhCOC(CH3)CHNH(CH2)2Ph or C18H19NO, is U-shaped. The dihedral angle between the two phenyl rings is 109.7 (4)°. N—H⋯O hydrogen bonds link the molecules to form a chain. [ABSTRACT FROM AUTHOR]

In the title compound, C10H13N3O3, the planar nitro­phenyl­amine and acet­amide fragments are linked in a trans fashion. The mol­ecules are arranged as N—H⋯O hydrogen-bonded layers parallel to the (100) planes. [ABSTRACT FROM AUTHOR]

In the title compound, [Cr(C7H3O6S)(C2H8N2)2]·2H2O, the chromium(III) ion is at the centre of a compressed octa­hedron formed by four N atoms [Cr—N = 2.060 (5)–2.107 (5) Å] from two ethyl­enediamine mol­ecules, one phenolate O atom [Cr—O = 1.899 (4) Å] and a carboxyl­ate O atom [Cr—O = 1.929 (4) Å] from the 2-oxido-5-sulfonatobenzoate ligand. These two O atoms and two of the N atoms occupy the equatorial positions and the remaining N atoms occupy the axial positions. The crystal structure is stabilized by a number of inter­molecular hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C14H17NO3, inter­molecular O—H⋯O hydrogen bonds [O⋯O = 2.692 (4) Å] link the mol­ecules into extended one-dimensional chains. These chains are, in turn, linked into a three-dimensional network by weak inter­molecular C—H⋯O inter­actions [C⋯O = 3.368 (5) Å]. [ABSTRACT FROM AUTHOR]

The title compound, [Li(C18H32N3Si2)] n, is a convenient ligand-transfer reagent for the synthesis of metal complexes of this β-diketiminate ligand. Lithium is coordinated by three N atoms: two are in the delocalized NCCCN fragment and one is from the pyridyl in an adjacent mol­ecule. Owing to the coordination of lithium by the pyridyl N atom, the crystal structure displays a one-dimensional polymeric structure. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C24H29BN2, the coordination around both the B and N atoms is distorted tetrahedral. The five-membered ring adopts an envelope conformation, with the flap atom, B, displaced by 0.629 (6) Å from the plane of the other four atoms. [ABSTRACT FROM AUTHOR]

The title compound, C14H18N2Si or (PhNH)2SiMe2, has been prepared and its single-crystal structure determined. There are two independent molecules in the asymmetric unit. Each of them contains an N—Si—N fragment which is twisted out of the phen­yl plane . Each mol­ecule can be considered as having an approximate twofold axis. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C11H14N3O2+·I−, intermolecular C—H⋯O and C—H⋯I hydrogen bonds link the ions into a three-dimensional structure. The imidazolinium ring is planar within 0.0502 (2) Å. The dihedral angle of the imidazolinium plane and the benzene ring plane is 78.45 (7)°. [ABSTRACT FROM AUTHOR]

The title compound, C12H17N2O+·I−, is a new example of a tetra­hydro­folate (THF) co-enzyme model. The N—C—N moiety of the imidazoline ring shows C—N bond lengths of 1.306 (4) and 1.326 (4) Å, suggesting that the positive charge is delocalized. [ABSTRACT FROM AUTHOR]

The title compound, (C8H15N3)[SnCl6]·H2O, is a salt involving a doubly protonated amine cation and a divalent [SnCl6]2− anion. The solid-state structure agrees with that found by 1H NMR and 13C NMR analyses. The salt has potential for use in the synthesis of organometallic compounds. [ABSTRACT FROM AUTHOR]