A nuclear magnetic resonance study of pyramidal atomic inversion in complexes of tricarbonylrhenium(I) halides with saturated and unsaturated thio- and seleno-ethers: an X-ray crystal structure of [Rel(CO)3{MeSe(CH2)2SeMe}]

Abstract

Complexes of the type [ReX(CO)₃L][X = Cl, Br, or I; L = MeE(CH₂)_nEMe (n= 2 or 3, E = S or Se) or MeECHCHEMe (E = S or Se)] have been prepared and the energy barriers associated with the pyramidal inversions at individual chalcogen atoms calculated using total bandshape dynamic n.m.r. methods. The effects of ring size, conjugation, and the nature of the halogen on barrier energies are discussed.