C structural and spectroscopic

Silicon-carbon and sUicon-nitrogen multiply bonded compounds 981 C. Structure and Spectroscopic Properties of Siienes 1. Structural studies... 

The temperature-dependent NMR spectrum of the ion can be analyzed to show that there is a barrier (8.4 kcal/mol) for the ring flip that interchanges the two hydrogens of the methylene group. The C-NMR chemical shift is also compatible with the homoaromatic structure. MO calculations are successful in reproducing the structural and spectroscopic characteristics of the cation and are consistent with a homoaromatic structure. ... 

Chan, M.C.-W. and Che, C.-M. (1998) Application of 2,6-diphenylpyridine as a tridentate [C N C] dianionic ligand in organogold(III) chemistry. Structural and spectroscopic properties of mono- and binuclear transmetalated gold(III) complexes. Organometallics, 17, 3505-3511. 

Pohl, E., Haller, J.C., Mijovilovich, A., Meyer-Klauke, W., Garman, E. and Vasil, M.L. (2003) Architecture of a protein central to iron homeostasis crystal structure and spectroscopic analysis of the ferric uptake regulator, Molec. Microbiol., 47, 903-915. 

Oxidation by direct H transfer from the a-carbon of alcohols to the pyrroloquinoline quinone (PQQ) cofactor of alcohol dehydrogenases was studied using ab initio quantum mechanical methods <2001JCC1732>. Energies and geometries were calculated at the 6-31G(d,p) level of theory, results were compared to available structural and spectroscopic data, and the role of calcium in the enzymatic reaction was explored. Transition state searches at the semi-empirical and STO-3G(d) level of theory provided evidence that direct transfer from the alcohol to C-5 of PQQ is energetically feasible. 

Ruggiero, C. E., Carrier, S. M., Antholine, W. E., Whittaker, J. W., Cramer, C. J., and Tolman, W. B. (1993). Synthesis and structure and spectroscopic characterization of mononuclear copper nitrosyl complexes Models for nitric oxide adducts of copper proteins and copper exchange zeolites. J. Am. Chem. Soc. 115, 11285-11298. 

Because of their structural and spectroscopic analogies with the hemo-chromes Fe(P)L2, e.g. the protoporphyrin derivative 3 (L, L = Py or 1-Meim), the corresponding 4d and 5d homologs are named ruthenochromes or osmo-chromes . The hemochromes derive their name from the cytochromes, the widespread electron-carrying heme proteins. Cytochrome b (coordination type F, M = Fe) has two imidazole donors from histidine side chains at the central iron, cytochrome c (coordination type G, M = Fe) an imidazole and a methyl-thioether function from a methionine. F is an axially symmetrical, G an axially unsymmetrical system. 

Comman, C.R., G.J. Colpas, J.D. Hoeschele, J. Kampf, and V.L. Pecoraro. 1992. Implications for the spectroscopic assignment of vanadium biomolecules Structure and spectroscopic characterization of monooxovanadium(V) complexes containing catecholate and hydroxamate-based noninnocent ligands. J. Am. Chem. Soc. 114 9925-9933. 

Comman, C.R., K.M. Geiser-Bush, and P. Singh. 1994. Structural and spectroscopic characterization of a novel vanadium(V)-amide complex. Inorg. Chem. 33 4621 -622. 

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