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Structure and Bonding of Low‐Valent (Fischer‐Type) and High‐Valent (Schrock‐Type) Transition Metal Carbyne 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<1439::aid-chem1439>3.0.co;2-#
Subject(s) - carbyne , transition metal , type (biology) , metal , structure type , materials science , chemistry , crystallography , organic chemistry , crystal structure , catalysis , geology , paleontology , carbene
The nature and reactivity of the metal–carbyne bond of 26 Fischer‐ ( 1 ) and Schrock‐ ( 2 ) type carbyne complexes of tungsten, both neutral and negatively charged, are 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.