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Эта публикация цитируется в 14 научных статьях (всего в 14 статьях)
Topological analysis of the electron density distribution functions of neutral 3d metal metallocenes
K. A. Lyssenkoa, D. G. Golovanovb, M. Yu. Antipina
a A.N. Nesmeyanov Institute of Organoelement Compounds of Russian Academy of Sciences, Moscow, Russian Federation
b Higher Chemical College of the Russian Academy of Sciences, D.I. Mendeleev University of Chemical Technology of Russia, Moscow, Russian Federation
Аннотация:
Topological analysis of the electron density distribution functions for 3d metal neutral metallocenes M(C5H5)2 (M = V, Cr, Mn, Fe, Co and Ni) on the basis of DFT calculation [B3PW91 functional and 6-311+G(d,p) basis set] has revealed that the chemical bonding pattern in the Fe, Ni, V, and Mn complexes corresponds to the η5-type coordination of C5H5 ligands, while Co and Cr metallocenes are characterised by η1, η2 and η3-coordination types, respectively.
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc4026
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