Journal of Physical Chemistry A, Vol.112, No.50, 12919-12924, 2008
Further Shortening of the C-C Single Bond in Substituted Tetrahedranyl Tetrahedrane Systems: An Energy Decomposition Analysis
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.