6533b7cffe1ef96bd1259a20

RESEARCH PRODUCT

Selective recognition of aromatic hydrocarbons by endo-functionalized molecular tubes via C/N-H⋅⋅⋅π interactions

Guo-bao HuangGuo-bao HuangGuo-bao HuangHuan YaoKari RissanenWei JiangArto ValkonenWei-er Liu

subject

chemistry.chemical_classificationhydrogen bond010405 organic chemistryHydrogen bondStereochemistrySupramolecular chemistryGeneral Chemistry010402 general chemistry01 natural sciencesmolecular dynamics0104 chemical sciencesMolecular recognitionmacrocycleschemistryhydrogenProton NMRhost-guest chemistryaromatic hydrocarbonhydrocarbonsmolecular recognitionAromatic hydrocarbonSpectroscopyHost–guest chemistryta116Binding selectivity

description

Abstract Molecular recognition of aromatic hydrocarbons by four endo -functionalized molecular tubes has been studied by 1 H NMR spectroscopy, computational methods, and single crystal X-ray crystallography. The binding selectivity is rationalized by invoking shape complementarity and dipole alignment. The non-covalent interactions are proved to predominantly be C/N-H⋅⋅⋅ π interactions.

yearjournalcountryeditionlanguage
2018-01-01Chinese Chemical Letters
10.1016/j.cclet.2017.07.005http://juuli.fi/Record/0330938318