title: Oxa-bicyclocalixarenes: a new cage for anions via C-H...anion hydrogen bonds and anion...pi interactions.
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.
authors.affiliation: State Key Laboratory of Molecular Dynamics and Stable Species, College of Chemistry, Peking University, Beijing, 100871, China.
authors.forename: Chun-Shan
authors.initials: CS
authors.lastname: Zuo
authors.forename: Jun-Min
authors.initials: JM
authors.lastname: Quan
authors.forename: Yun-Dong
authors.initials: YD
authors.lastname: Wu
mesh_terms: D000838:Anions; D047250:Calixarenes / Q000737:chemistry*; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008968:Molecular Conformation; D015394:Molecular Structure; D013816:Thermodynamics
chemical_list: D000838:Anions; D047250:Calixarenes