4.1 Article

Strained bonds in [Re4Q4X12]4- cluster complexes (Q = S, Se, Te; X = F, CN-) according to AIM and ELF data

Journal

JOURNAL OF STRUCTURAL CHEMISTRY
Volume 49, Issue 4, Pages 587-594

Publisher

PLEIADES PUBLISHING INC
DOI: 10.1007/s10947-008-0081-9

Keywords

AIM; ELF; cluster complexes; strained bonds

Funding

  1. Russian Foundation for Basic Research [08-03-00826]

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The electron density distribution in [Re(4)Q(4)X(12)](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.

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