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Comment on “Conformational analysis of triphenylphosphine ligands in stereogenic monometallic complexes: tools for predicting the preferred configuration of the triphenylphosphine rotor” by J. F. Costello, S. G. Davies, E. T. F. Gould and J. E. Thomson, Dalton Trans., 2015, 44, 5451

Brunner, Henri ; Tsuno, Takashi


In half-sandwich compounds of the type [Cp*(MLLPPh3)-L-1-P-2] the PPh3 propeller is stabilized by attractive CH/pi interactions in which C-o-H bonds specifically interact with the C-i and C-o atoms of neighbouring phenyl rings, as in the T-shaped benzene dimer (i/o = ipso/ortho). This stabilization was not taken into account in a recent conformational analysis based on van der Waals energy ...


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