The electronic structure and chemical bonding of vitamin
E. Z. Kurmaev1, A. Moewes2, L. Ouyang3, L. Randaccio4, P. Rulis3, W. Y. Ching3, M. Bach5 and M. Neumann5
Institute of Metal Physics, Russian Academy of Science-Ural Division
620219 Yekaterinburg GSP-170, Russia
Department of Physics and Engineering Physics, University of Saskatchewan
116 Science Place, Saskatoon, Saskatchewan S7N 5E2, Canada
Department of Physics, University of Missouri-Kansas City Kansas City,
MO 64110, USA
Center of Excellence in Biocystallography, Dipartimento di Scienze Chimiche
Università di Trieste - 34127 Trieste, Italy
Universität Osnabrück, Fachbereich Physik - D-49069 Osnabrück, Germany
The electronic structure and chemical bonding of vitamin
(cyanocobalamin) and -derivative
(methylcobalamin) are studied by means of X-ray emission (XES)
and photoelectron (XPS) spectroscopy. The obtained results are
compared with ab initio electronic structure calculations
using the orthogonalized linear combination of the atomic orbital
method (OLCAO). We show that the chemical bonding in vitamin
is characterized by the strong -
bond and relatively weak axial - bond. It is
further confirmed that the - bond in
cyanocobalamin is stronger than that of methylcobalamin resulting
in their different biological activity.
PACS: 78.70.En – X-ray emission spectra and fluorescence / 87.64.Fb – EXAFS spectroscopy / 87.15.By – Structure and bonding
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