215732-75-5Relevant academic research and scientific papers
Synthesis, molecular structure and theoretical considerations on Mo(PhCCCOOEt)3(PMe3)
Mealli, Carlo,Masi, Dante,Galindo, Agustin,Pastor, Antonio
, p. 21 - 27 (1998)
The reaction of trans-Mo(C2H4)2(PMe3)4 with PhCCCOOEt affords (PhCCCOOEt)3(PMe3) (1). The molecular structure of 1 has been determined by means of X-ray analysis. NMR studies have shown that 1 undergoes a dynamic process in solution due to the alkyne rotation. The related energy barrier is experimentally determined to be 15.1 kcal mol-1. The well established EHMO theoretical arguments, which uniquely explain the chemical bonding in these complexes, are extended to interpret the nature of the barrier and its dependence on the π-donor or π-acceptor capability of the axial ligand. The conceptual continuity between the chemical bonding of d6 metal species coordinated by at least two alkyne molecules (e.g. M(alkyne)2L4, M(alkyne)2L2 and M(alkyne)3L) is highlighted.
