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Journal of Structural Chemistry

2008 year, number 4

STRAINED BONDS IN [Re4Q4X12]4- CLUSTER COMPLEXES (Q = S, Se, Te; X = F, CN-) ACCORDING TO AIM AND ELF DATA

M. R. Ryzhikov, S. G. Kozlova, S. P. Gabuda
Keywords: AIM, ELF, cluster complexes, strained bonds
Pages: 616-622

Abstract

The electron density distribution in [Re4Q4X12]4- cubane-like clusters (Q = S, Se, Te; X = F, CN) was investigated by the AIM and ELF topological quantum-chemical methods. The Re-Re, Re-Q, and Re-X interatomic interactions are characterized by bcp type critical binding points and are strained.