The electronic structure and chemical bonding of vitamin B12

被引：27

作者：

Kurmaev, EZ

Moewes, A

Ouyang, L

Randaccio, L

Rulis, P

Ching, WY

Bach, M

Neumann, M

机构：

[1] Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia

[2] Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada

[3] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA

[4] Univ Trieste, Dipartimento Sci Chim, Ctr Excellence Biocystallog, I-34127 Trieste, Italy

[5] Univ Osnabruck, Fachbereich Phys, D-49069 Osnabruck, Germany

来源：

EUROPHYSICS LETTERS | 2003年 / 62卷 / 04期

关键词：

D O I：

10.1209/epl/i2003-00390-9

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The electronic structure and chemical bonding of vitamin B-12 (cyanocobalamin) and B-12-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 B-12 is characterized by the strong Co-C bond and relatively weak axial Co-N bond. It is further confirmed that the Co-C bond in cyanocobalamin is stronger than that of methylcobalamin resulting in their different biological activity.

引用

页码：582 / 587

页数：6

共 17 条

[1] Theoretical analysis of electronic absorption spectra of vitamin B12 models [J].