1. Chalcogen Bonding in Co-Crystals: Activation through 1,4-Perfluorophenylene vs. 4,4 '-Perfluorobiphenylene Cores
- Author
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Arun Dhaka, Olivier Jeannin, Enrique Espinosa, Emmanuel Aubert, Marc Fourmigué, Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Cristallographie, Résonance Magnétique et Modélisations (CRM2), Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), ANR (France)French National Research Agency (ANR) [ANR-17-CE07-0025-01, ANR-17-CE07-0025-02], EXPLOR mesocentre [2019CPMXX0984], ANR-17-CE07-0025,Sigma-Hole,Contrôle de l'organisation moléculaire à l'état solide à partir des liaisons halogène, chalcogène et pnictogène fortes(2017), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université de Rennes 1 (UR1), Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), and Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)
- Subjects
Materials science ,Pharmaceutical Science ,010402 general chemistry ,Crystal engineering ,01 natural sciences ,Article ,Analytical Chemistry ,symbols.namesake ,Bipyridine ,chemistry.chemical_compound ,Chalcogen ,QD241-441 ,Drug Discovery ,chalcogen bonding ,Lewis-base ,[CHIM]Chemical Sciences ,Center (algebra and category theory) ,Lewis acids and bases ,Angstrom ,Physical and Theoretical Chemistry ,010405 organic chemistry ,Organic Chemistry ,Reduction ratio ,0104 chemical sciences ,3. Good health ,Crystallography ,sigma-hole activation ,chemistry ,Chemistry (miscellaneous) ,crystal engineering ,symbols ,Molecular Medicine ,van der Waals force - Abstract
International audience; The ability of alkylseleno/alkyltelluroacetylenes such as bis(selenomethylethynyl)-perfluorobenzene (4F-Se) to act as a ditopic chalcogen bond (ChB) donor in co-crystals with ditopic Lewis bases such as 4,4 '-bipyridine is extended here to the octafluorobiphenylene analog, 4,4 '-bis(selenomethylethynyl)-perfluorobiphenyl (8F-Se), with the more electron-rich 4,4 '-bipyridylethane (bpe), showing in the 1:1 (8F-Se)center dot(bpe) co-crystal a shorter and more linear C-Se center dot center dot center dot N ChB interaction than in (4F-Se)center dot(bpe), with Se center dot center dot center dot N distances down to 2.958(2) angstrom at 150 K, i.e., a reduction ratio of 0.85 vs. the van der Waals contact distance.
- Published
- 2021
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