The variable-temperature ESR characterization of the fluxional d9

Oct 1, 1987 - Karl T. Mueller, Amanda J. Kunin, Stephen Greiner, Thomas Henderson, Robert W. Kreilick, Richard Eisenberg. J. Am. Chem. Soc. , 1987, 10...
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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’

@