Conformer interconversion in a switchable porous organic cage

被引：17
|
作者：
Jelfs, Kim E. [1 ,2 ]
Schiffmann, Florian [3 ]
Jones, James T. A. [1 ,2 ]
Slater, Ben [3 ]
Cora, Furio [3 ]
Cooper, Andrew I. [1 ,2 ]
机构：
[1] Univ Liverpool, Dept Chem, Liverpool L69 3BX, Merseyside, England
[2] Univ Liverpool, Ctr Mat Discovery, Liverpool L69 3BX, Merseyside, England
[3] UCL, Dept Chem, London WC1H 0AJ, England
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2011年 / 13卷 / 45期
基金：
英国工程与自然科学研究理事会;
关键词：
D O I：
10.1039/c1cp22527h
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Porous organic cage crystals can show unique properties, such as switching from being porous to non-porous in the solid state. Conformer interconversion plays a crucial role in this for the imine cage molecule, CC1. The barriers to interconversion were calculated and found to match experimentally determined values. Calculations suggest that solvent interactions reduce these activation barriers.
引用
收藏
页码：20081 / 20085
页数：5
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