Ab initio theoretical studies of a novel tungsten dihydrogen complex

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Abstract

Theoretical studies of H2bound to W(CO)3(PH3)2predict a stable η2complex with equal WH bonds (2.15 A) and a slightly lengthened (0.79 A) HH bond. The results are compared with recent experimental studies of the related W(CO)3(P-i-Pr3)2(H2) complex, and the nature of the bonding is discussed. © 1984.

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Hay, P. J. (1984). Ab initio theoretical studies of a novel tungsten dihydrogen complex. Chemical Physics Letters, 103(6), 466–469. https://doi.org/10.1016/0009-2614(84)85278-1

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