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Structure and Bonding of Low‐Valent (Fischer‐Type) and High‐Valent (Schrock‐Type) Transition Metal Carbene Complexes
Author(s) -
Vyboishchikov Sergei F.,
Frenking Gernot
Publication year - 1998
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19980807)4:8<1428::aid-chem1428>3.0.co;2-7
Subject(s) - carbene , tungsten , dissociation (chemistry) , transition metal , chemistry , ab initio , transition metal carbene complex , metal , reactivity (psychology) , bond dissociation energy , computational chemistry , organic chemistry , catalysis , medicine , alternative medicine , pathology
The nature and reactivity of the metal–carbene bond of 12 Fischer‐ ( 1 ) and Schrock‐ ( 2 ) type carbene complexes of tungsten, both neutral and negatively charged, is investigated. The geometries and tungsten–carbene bond dissociation energies were calculated by use of ab initio methods at the HF, MP2, and CCSD(T) level of theory.