Structure and nonadditive voltammetric properties of face-to-face bismacrocyclic Ni(super II) receptors in complexes with small organic guests

Article Abstract:

Intermolecular interactions between new bizmacrocyclic donors and a series of acceptors such as quinone, TCNQ, or toluene are studied by crystallography in the solid state and by voltammetry in solution. The bismacrocyclic molecules functioning as receptors contain well-defined flexible cavities, which accommodate molecules of appropriate size and can, adjust to the guest molecules.

Quinone, Quinones, Molecules, Voltammetry, Atomic properties

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Ruffling deformations of nickel (II) and zinc (II) hydroporphyrin and chlorophin complexes: implications for F (sub 430), the nickel tetrapyrrole cofactor of methylcoenzyme M reductase

Article Abstract:

Nonlocal DFT provides an excellent description of the structural and conformational properties of metallohydroporphyrins and related complexes. The nickel (II) complexes are found to be strongly ruffled and the zinc (II) complexes planar, consistent with experimental results.

Usage, Zinc, Chemistry, Physical and theoretical, Physical chemistry, Density functionals, Density-functional theory, Chemical properties

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Sizing of cylindrical pores by nitrogen and benzene vapor adsorption

Article Abstract:

A new method for sizing the diameter of cylindrical mesopores is presented. The effects of the pore dimension and the cylindrical shape on adsorption in mesopores are accounted for by using the concepts of enhanced pore pressure and enhanced surface layering.

Industrial Gas Manufacturing, Industrial gases, Petrochemical Manufacturing, Nitrogen, Benzene

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