title: Cavity partition and functionalization of a [2+3] organic molecular cage by inserting polar P[double bond, length as m-dash]O bonds.
abstract: The cavity of a [2+3] organic molecular cage was partitioned and functionalized by inserting inner-directed P[double bond, length as m-dash]O bonds, which shows CO2 capture and CH4 exclusion due to the size-matching and polarity effects. Computational results demonstrate that the successful segmentation via polar P[double bond, length as m-dash]O bonds facilitates the CO2 molecules to reside selectively inside the cavity.
authors.affiliation: State Key Laboratory of Coordination Chemistry, Nanjing University, Nanjing 210093, P. R. China. whuang@nju.edu.cn.
authors.forename: Genfeng
authors.initials: G
authors.lastname: Feng
authors.forename: Wei
authors.initials: W
authors.lastname: Liu
authors.forename: Yuxin
authors.initials: Y
authors.lastname: Peng
authors.forename: Bo
authors.initials: B
authors.lastname: Zhao
authors.forename: Wei
authors.initials: W
authors.lastname: Huang
authors.forename: Yafei
authors.initials: Y
authors.lastname: Dai