The unsymmetrical ansa-bis(imido)molybdenum complex 2 was prepared in high yield from the diamine 1 and sodium molybdate under one-pot conditions. Owing to the chelate effect, 2 is perfectly stable toward imido redistribution reactions, although it contains a strained seven-membered chelate ring with a small N−Mo−N bite angle. The dependence of the frontier orbital energies of geometry-optimized (HN)2MoCl2 on the N−Mo−N bite angle was investigated by extended Hückel calculations and was found to be largest in the vicinity of the HOMO minimum.
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Siemeling et al. (1998) studied this question.