分子天平中卤键-π 与 CH-π 相互作用的探测。
Probing Halogen-π versus CH-π Interactions in Molecular Balance.
机构信息
Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, 5230 Odense, Denmark.
ICREA, Passeig Lluís Companys 23, 08010 Barcelona, Spain.
出版信息
Org Lett. 2020 Oct 16;22(20):7870-7873. doi: 10.1021/acs.orglett.0c02773. Epub 2020 Sep 29.
PMID:32991183
Abstract
Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen-π and CH-π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact both with C-X or C-H functionalities, depending on the size of the functional group.
摘要
基于二苯并双环[3.2.2]壬烷模板的分子天平能够探测卤素-π 和 CH-π 相互作用之间的竞争。结构、NMR 光谱和计算分析表明，π 体系可以与 C-X 或 C-H 官能团有利地相互作用，这取决于官能团的大小。
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