Through-Space Polar-π Interactions in 2,6-Diarylthiophenols

Jie Jian; Jordi Poater; Roel Hammink; Paul Tinnemans; Christine J McKenzie; F Matthias Bickelhaupt; Jasmin Mecinović

doi:10.1002/cphc.202000414

Through-Space Polar-π Interactions in 2,6-Diarylthiophenols

Chemphyschem. 2020 Jun 3;21(11):1080. doi: 10.1002/cphc.202000414.

Authors

Jie Jian¹, Jordi Poater^{2

3}, Roel Hammink^{4

5}, Paul Tinnemans⁶, Christine J McKenzie¹, F Matthias Bickelhaupt^{6

7}, Jasmin Mecinović¹

Affiliations

¹ Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, 5230, Odense, Denmark.
² ICREA, Passeig Lluís Companys 23, 08010, Barcelona, Spain.
³ Departament de Química Inorgànica i Orgànica, & IQTCUB, Universitat de Barcelona, Martí i Franquès 1-11, 08028, Barcelona, Spain.
⁴ Division of Immunotherapy, Oncode Institute, Radboud University Medical Center, Nijmegen, The Netherlands.
⁵ Department of Tumor Immunology, Radboud Institute for Molecular Life Sciences, Radboud University Medical Center, Geert Grooteplein 26, 6525 GA, Nijmegen, The Netherlands.
⁶ Institute for Molecules and Materials, Radboud University, Heyendaalseweg 135, 6525 AJ, Nijmegen, The Netherlands.
⁷ Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling, Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands.

PMID: 32496661
DOI: 10.1002/cphc.202000414

Abstract

The front cover artwork is provided by Marijn Maas from the group of Prof. Jasmin Mecinović (University of Southern Denmark). The image shows the stabilization of thiols by aromatic rings, as a result of energetically favorable SH-π interactions in a designed small molecule and in proteins. Read the full text of the Article at 10.1002/cphc.202000132.

Publication types

Research Support, Non-U.S. Gov't