Resonance Raman study of the A-band short-time photodissociation dynamics of axial and equatorial conformers of iodocyclopentane
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Conformational Properties of 1-Halogenated-1-Silacyclohexanes, C5H10SiHX (X = Cl, Br, I): Gas Electron Diffraction, Low-Temperature NMR, Temperature-Dependent Raman Spectroscopy, and Quantum-Chemical Calculations†
The molecular structures of axial and equatorial conformers of cyclo-C5H10SiHX (X = Cl, Br, I) as well as the thermodynamic equilibrium between these species was investigated by means of gas electron diffraction, dynamic nuclear magnetic resonance, temperature-dependent Raman spectroscopy, and quantum-chemical calculations applying CCSD(T), MP2, and DFT methods. According to the experimental an...
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Hartree-Fock (HF) and Density Functional Theory (DFT) methods employed to study the effect of conformational change on the 13C chemical shifts of 6-mono axial and equatorial substituted and 6,7-di axial-axial, equatorial-equatorial and axial-equatorial substitutedderivatives of 5,6,7,8-tetrahydrodibenzo[a,c]cyclo-octene. The geometry of the conformers have been optimized...
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Cytochrome c (Cyt c) is a heme protein involved in electron transfer and also in apoptosis. Its heme iron is bisaxially ligated to histidine and methionine side chains and both ferric and ferrous redox states are physiologically relevant, as well as a ligand exchange between internal residue and external diatomic molecule. The photodissociation of internal axial ligand was observed for several ...
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