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Full Paper
Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbyne Complexes
Article first published online: 14 DEC 1998
DOI: 10.1002/(SICI)1521-3765(19980807)4:8<1439::AID-CHEM1439>3.0.CO;2-#
© 1998 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany
1521-3765/asset/cover.gif?v=1&s=84a7a85cb7ec9b27e0cf7892ed9fab8be71206a8 "Chemistry - A European Journal")
Additional Information
How to Cite
Vyboishchikov, S. F. and Frenking, G. (1998), Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbyne Complexes. Chem. Eur. J., 4: 1439–1448. doi: 10.1002/(SICI)1521-3765(19980807)4:8<1439::AID-CHEM1439>3.0.CO;2-#
Publication History
- Issue published online: 14 DEC 1998
- Article first published online: 14 DEC 1998
- Manuscript Received: 28 OCT 1997
- Abstract
- References
- Cited By
Keywords:
- Ab initio calculations;
- Carbyne complexes;
- Donor–acceptor interactions;
- Metal–ligand interactions;
- Tungsten
Abstract
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.