Application of ultraviolet photoelectron spectroscopy to molecular properties. Part 27. Stereochemistry of ligand exchange reactions of titanocene derivatives

Abstract

The electronic structure of pseudohalogen (NCX, X = O or S) complexes of titanocene has been analyzed on the basis of He I and He II photoelectron data and extended Hückel results. This [graphic omitted] analysis explains the stereoselectivity of the two exchange reactions (i) and (ii) which depends on the heteroatom X [for reaction (i), X = O and S, retention; for reaction (ii), X = S, retention; X = O, inversion].