K. A. Lyssenko, D. G. Golovanov, M. Yu. Antipin, “Topological analysis of the electron density distribution functions of neutral 3d metal metallocenes”, Mendeleev Commun., 13:5 (2003), 209

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Mendeleev Communications, 2003, Volume 13, Issue 5, Pages 209–211
DOI: https://doi.org/10.1070/MC2003v013n05ABEH001836 (Mi mendc4026)

This article is cited in 14 scientific papers (total in 14 papers)

Topological analysis of the electron density distribution functions of neutral 3d metal metallocenes

K. A. Lyssenko^a, D. G. Golovanov^b, M. Yu. Antipin^a

^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

Full-text PDF (186 kB) Citations (14)

DOI: https://doi.org/10.1070/MC2003v013n05ABEH001836

Abstract: 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 M_n 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.

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Document Type: Article

Language: English

Citation: K. A. Lyssenko, D. G. Golovanov, M. Yu. Antipin, “Topological analysis of the electron density distribution functions of neutral 3d metal metallocenes”, Mendeleev Commun., 13:5 (2003), 209–211

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https://www.mathnet.ru/eng/mendc/v13/i5/p209

This publication is cited in the following 14 articles:

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