M-2 delta-to-oxalate pi* conjugation in oxalate-bridged complexes containing M-M quadruple bonds

Authors
Bursten, BE Chisholm, MH Hadad, CM Li, J Wilson, PJ
Citation
Be. Bursten et al., M-2 delta-to-oxalate pi* conjugation in oxalate-bridged complexes containing M-M quadruple bonds, CHEM COMMUN, (22), 2001, pp. 2382-2383
Citations number
14
Categorie Soggetti
Chemistry
Journal title
CHEMICAL COMMUNICATIONS
ISSN journal
13597345 → ACNP
Issue
22
Year of publication
2001
Pages
2382 - 2383
Database
ISI
SICI code
1359-7345(2001):22<2382:MDPCIO>2.0.ZU;2-G
Abstract
The electronic structures of oxalate-bridged, quadruply-bonded dimolybdenum and ditungsten compounds have been investigated by a variety of computatio nal methods employing density function theory (gradient corrected and time- dependent) which reveal the consequences of strong mixing of M(2)delta and oxalate pi orbitals within extended chains and cyclic structures.