Conformational study of meta-halogenostyrenes

Abstract

A conformational study of meta-halogeno substituted styrenes was performed using minimal basis ab initio calculations on the two planar conformers of m-fluorostyrene and a low-resolution microwave spectrum of m-iodostyrene. The results obtained from the calculations indicate that the energy difference between the two conformers is very small. Furthermore, from the microwave spectrum of m-iodostyrene, experimental evidence was obtained for the existence of two planar or near-planar conformers in roughly equal amounts.