M2 delta-to-oxalate pi* conjugation in oxalate-bridged complexes containing M-M quadruple bonds.
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.
Bursten
B E
BE
Department of Chemistry, Ohio State University, Newman and Wolfrom Laboratory, 100 W. 18th Avenue, Columbus, OH 43210-1185, USA.
Chisholm
M H
MH
Hadad
C M
CM
Li
J
J
Wilson
P J
PJ