title: M2 delta-to-oxalate pi* conjugation in oxalate-bridged complexes containing M-M quadruple bonds.
abstract: The electronic structures of oxalate-bridged, quadruply-bonded dimolybdenum and ditungsten compounds have been investigated by a variety of computational methods employing density function theory (gradient corrected and time-dependent) which reveal the consequences of strong mixing of M2 delta and oxalate pi orbitals within extended chains and cyclic structures.
authors.affiliation: Department of Chemistry, Ohio State University, Newman and Wolfrom Laboratory, 100 W. 18th Avenue, Columbus, OH 43210-1185, USA.
authors.forename: B E
authors.initials: BE
authors.lastname: Bursten
authors.forename: M H
authors.initials: MH
authors.lastname: Chisholm
authors.forename: C M
authors.initials: CM
authors.lastname: Hadad
authors.forename: J
authors.initials: J
authors.lastname: Li
authors.forename: P J
authors.initials: PJ
authors.lastname: Wilson