Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: an energy decomposition analysis

J Phys Chem A. 2008 Dec 18;112(50):12919-24. doi: 10.1021/jp802886g.

Abstract

The computational study explores the electronic fine tuning of the exocyclic C-C single bond length in tetrahedranyl tetrahedrane as a function of various substituents. The factors which determine the bond lengths and bond strengths are examined by using the EDA method.