Distortional effects on the ethane internal rotation barrier and rotation barriers in borazane and methylsilane

Abstract

Distortional effects on the barrier to internal rotation of ethane are investigated through ab initio calculations, yielding a theoretical barrier of 3.071 kcal/mole (experimental 2.928 kcal/mole). The computed barrier is 3.064 kcal/mole for borazane and 1.44 kcal/mole for methylsilane (experimental 1.71 kcal/mole). © 1969.