Topological analyses and bond characterization of 1,3,5,7-tetra-tert-butyl-s-indacene: a weak Csp3-H...H-Csp2-type dihydrogen interaction.
Topological analyses of experimental and theoretical calculated electron densities of 1,3,5,7-tetra-tert-butyl-s-indacene provide bond characterizations of the chemical bond and of the pi-delocalization. A weak C(sp(3))-H...H-C(sp(2))-type intramolecular dihydrogen interaction (DHI) is identified through this analysis.
Wang
Chih-Chieh
CC
Department of Chemistry, Soochow University, Taipei, Taiwan.
Tang
Ting-Hua
TH
Wu
Lai-Chin
LC
Wang
Yu
Y