Selective recognition of aromatic hydrocarbons by endo-functionalized molecular tubes via C/N-H center dot center dot center dot pi interactions

Molecular recognition of aromatic hydrocarbons by four endo-functionalized molecular tubes has been studied by H-1 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 center dot center dot center dot pi interactions. (C) 2017 Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. Published by Elsevier B.V. All rights reserved.