Journal
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Volume 60, Issue 1, Pages 366-370Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202010462
Keywords
carborane; chalcogen bonding; crystal engineering; halogen bonding; sigma-hole interaction
Categories
Funding
- French National Research Agency Grant [ANR 17-ERC3-0003]
- Campus France [PHC STAR 41595RK]
- National Research Foundation of Korea [NRF-2018K1A3A1A21043478]
- Region Bretagne
- EXPLOR mesocentre [2019CPMXX0984/wbg13]
- National Research Foundation of Korea [2018K1A3A1A21043478] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- Agence Nationale de la Recherche (ANR) [ANR-17-ERC3-0003] Funding Source: Agence Nationale de la Recherche (ANR)
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Crystal engineering based on sigma-hole interactions is a promising approach for creating new materials with higher complexity. The study demonstrates that carborane derivatives can strongly interact with halide anions, forming highly ordered molecular chains with remarkably short distances and high directionality. Additionally, electrostatic potential calculations show that these derivatives have similar or even superior efficacy compared to organic halogen-bond donors.
Crystal engineering based on sigma-hole interactions is an emerging approach for realization of new materials with higher complexity. Neutral inorganic clusters derived from 1,2-dicarba-closo-dodecaborane, substituted with -SeMe, -TeMe, and -I moieties on both skeletal carbon vertices are experimentally demonstrated herein as outstanding chalcogen- and halogen-bond donors. In particular, these new molecules strongly interact with halide anions in the solid-state. The halide ions are coordinated by one or two donor groups (mu(1)- and mu(2)-coordinations), to stabilize a discrete monomer or dimer motifs to 1D supramolecular zig-zag chains. Crucially, the observed chalcogen bond and halogen bond interactions feature remarkably short distances and high directionality. Electrostatic potential calculations further demonstrate the efficiency of the carborane derivatives, with V-s,V-max being similar or even superior to that of reference organic halogen-bond donors, such as iodopentafluorobenzene.
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