Published 1982 | Version v1
Journal article Metadata-only

Quantum chemical investigation of the multiple bond in complexes of the typ [Re2Cl8]2-

Creators

  • 1. Friedrich-Schiller-Universitaet, Jena (German Democratic Republic). Sektion Chemie

Description

The energy of the metal-metal-bond of complexes of the type [Me2X8]/sup x-/ (Me = Re, Mo, Te; X = Cl, Br) has been evaluated in the frame of a simple free electron model and compared with experimental data. Due to the analysis of the bonding orbitals quadruple or stronger Me-Me-bonds have been found, corresponding to σ2π4delta2 and σ2π4delta3 bonding configurations. The charge density distribution of the bonding orbitals has been drawn. (author)

Additional details

Additional titles

Original title (German)
Theoretische Untersuchung der Mehrfachbindung in Zweikernkomponenten vom Typ [Re

Publishing Information

Journal Title
Wiss. Z. Friedrich-Schiller-Univ., Jena, Math.-Naturwiss. Reihe
Journal Volume
31
Journal Issue
6
Series
Wiss. Z. Friedrich-Schiller-Univ., Jena, Math.-Naturwiss. Reihe.
Journal Page Range
943-948
ISSN
0043-6836

INIS

Country of Publication
Germany
Country of Input or Organization
German Democratic Republic
INIS RN
14763778
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
ATOMIC RADII; BAND THEORY; BINDING ENERGY; BROMIDES; CHLORIDES; ELECTRONIC STRUCTURE; LCAO METHOD; MOLECULAR ORBITAL METHOD; MOLYBDENUM COMPLEXES; RHENIUM COMPLEXES; SOLID CLUSTERS; TECHNETIUM COMPLEXES
Descriptors DEC
BROMINE COMPOUNDS; CHLORINE COMPOUNDS; COMPLEXES; ENERGY; HALIDES; HALOGEN COMPOUNDS; TRANSITION ELEMENT COMPLEXES