J. Am. Chem. SOC.1987, 109, 6313-6318 Table I. Antibonding Contributions of the Oxygen p Orbitals of Mo-0-Mo Bridges in the t2* Block Band Orbitals of the Mo209
Layer“
band wave orbital vector 13a i3b 14a 14b 16a 1611 17a 17b 20a 2Ob 21a 2lb
r
r
M M
intrachain between nearest-neighbor cell unit cells interchain
within unit cell a unit
orbital 61d,+ 4,$1;
r r
dZ 42d2+
K’ K’
@
