Towards a rigorously defined quantum chemical analysis of the chemical bond in donor-acceptor complexes

Coordination Chemistry Reviews

Volumn 238-239, Issue , 2003, Pages 55-82

  Frenking, Gernot ^a   Wichmann, Karin ^a   Fröhlich, Nikolaus ^a   Loschen, Christoph ^a   Lein, Matthias ^a   Frunzke, Jan ^a   Rayón, Víctor M ^a  

^a PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Bonding analysis; Donor acceptor bonds; Energy partitioning; Main group complexes; Transition metal complexes

Indexed keywords

ALUMINUM; BARIUM; BERYLLIUM; BORON; CESIUM; CHLORINE; CHROMIUM; FLUORINE; HYDROGEN; LEAD; LIGAND; LITHIUM; METAL; METAL COMPLEX; METAL DERIVATIVE; METHANE; MOLYBDENUM; SILICONE; THALLIUM; ZINC;

CALCULATION; CHEMICAL BINDING; COMPLEX FORMATION; COVALENT BOND; DECOMPOSITION; ENERGY; GEOMETRY; LIGAND BINDING; METAL BINDING; PARTITION COEFFICIENT; PHASE TRANSITION; QUANTITATIVE DIAGNOSIS; QUANTUM CHEMISTRY; REVIEW;

EID: 0037509929     PISSN: 00108545     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-8545(02)00285-0     Document Type: Article

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114. Previous methods such as MO correlation diagrams have also been used in the past for a quantitative analysis of the chemical bonds. However, they were mainly based on methods such as EHT and the numbers are less meaningful than those which are reported here.