Relations between mean amplitudes of vibration and corresponding internuclear distances: II. Bonded carbon-carbon distances

Abstract

The empirical relation u(CC bond) = −0.071856 + 0.124162 r − 0.028974 r 2 was established from a statistical treatment of 57 electron diffraction measurements (1.2086 ⩽ r ⩽ 1.549, where r is the bond distance, and u is the mean amplitude of vibration; both in Å units). The agreement between observed and calculated u values is significantly improved when compared with the corresponding treatment of bonded and non-bonded CC distances taken together.