Energetics of Metal-Ligand Multiple Bonds. A Combined Solution Thermochemical and ab Initio Quantum Chemical Study of MO Bonding in Group 6 Metallocene Oxo …

L Luo, G Lanza, IL Fragalà, CL Stern…

Index: Luo, Lubin; Lanza, Giuseppe; Fragala, Ignazio L.; Stern, Charlotte L.; Marks, Tobin J. Journal of the American Chemical Society, 1998 , vol. 120, # 13 p. 3111 - 3122

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Citation Number: 35

Abstract

In this paper, we report a synthetic, molecular structure, thermochemical, and ab initio Hartree-Fock/Moller-Plesset level study of bonding and bonding energetics in the group 6 metallocene oxo series Cp2Mo/(MeCp) 2MO, M= Cr, Mo, W. Efficient, high-yield syntheses of the pairs Cp2MH2/(MeCp) 2MH2, Cp2MCl2/(MeCp) 2MCl2, and Cp2MO/(MeCp) 2MO where M= Mo or W are reported. The molecular structure of (MeCp) 2WO features a “bent ...