Abstract
A molecular orbital analysis based on extended Hückel calculations shows that the transformation of (η 2-formaldehyde)tungsten complexes into six-coordinate oxo-alkylidene complexes [WCl 2L 2(O)CH 2] is symmetry-forbidden. Nevertheless, the transformation occurs readily because the highest occupied molecular orbitals (HOMO) of the starting materials are metal non-bonding orbitals and because the products are very stable with a WO multiple bond. Ale facile CO cleavage is not a general reaction of η 2-aldehyde or ketone complexes: it requires the oxo-alkylidene product.
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