I. Bartlett, N. Connelly, M. J. Quayle, A. Orpen, J. Rankin
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Structure and bonding in redox-active d 4 , d 5 , and d 6 alkyne complexes: metal-alkyne moieties as electron sinks
X-Ray structural studies of the two redox-related pairs [Cr(CO)2(η-PhCCPh)(η6-C6HMe5)]0/1+ and [Mo(CO)2(η-PhCPh)(Tp′)]0/1+[Tp′= hydrotris(3,5-dimethyl-pyrazolyl)borate] are consistent with the HOMO of the d6, Cr0 alkyne complex being an antibonding M–alkyne π⊥ orbital.
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