4.7 Article

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

Journal

CHINESE CHEMICAL LETTERS
Volume 29, Issue 1, Pages 91-94

Publisher

ELSEVIER SCIENCE INC
DOI: 10.1016/j.cclet.2017.07.005

Keywords

Macrocycles; Aromatic hydrocarbon; Molecular recognition; Host-guest chemistry; Hydrogen bond

Funding

  1. National Natural Science Foundation of China [21572097]
  2. Thousand Young Talents Program, South University of Science and Technology of China
  3. Shenzhen special funds for the development of biomedicine, internet, new energy, and new material industries [JCYJ20160226192118056, JCYJ20170307105848463]
  4. Yulin Normal University [G20160002]
  5. Academy of Finland [263256, 265328, 292746]

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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.

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