Oxa-bicyclocalixarenes: a new cage for anions via C-H...anion hydrogen bonds and anion...pi interactions |
| |
| Authors: | Zuo Chun-Shan Quan Jun-Min Wu Yun-Dong |
| |
| Affiliation: | State Key Laboratory of Molecular Dynamics and Stable Species, College of Chemistry, Peking University, Beijing, 100871, China. |
| |
| Abstract: | Density functional theory calculations indicate that the cage molecule 4 can trap F- in the gas phase (-80.5 kcal/mol) as well as in CH2Cl2 (-14.7 kcal/mol) via strong C-H...F- hydrogen bonds and pi...F- interaction. |
| |
| Keywords: | |
| 本文献已被 PubMed 等数据库收录！ |
|
