In this paper, ab initio calculations were performed on the ternary complex formed by HB(CO)2, XCN (X = Cl, Br) and YF (Y = Li, H, Cl). In these complexes boron act as a non-classical electron donor to form a unconventional halogen bond. The cooperative effect between the B•••X halogen bond and lithium/hydrogen/halogen bond was investigated. The calculated results show that the B•••X and N•••Y ...

Hydrogen and halogen bonds are important anisotropic attractive interactions in the molecular crystalline state. 2,6-dibromophenol (1) was analyzed by single-crystal X-ray diffraction for first time. The intermolecular interaction pattern studied Hirshfeld surface analysis along with 2D fingerprint diagrams. characteristic that dominate crystal packing electrostatic type-II Br⋅⋅⋅Br interactions...

Oxidation of 3,4-ethylenedithio-3'-iodo-tetrathiafulvalene (EDT-TTF-I) and 3,4-ethylenedithio-3',4'-diiodo-tetrathiafulvalene (EDT-TTF-I2) with DDQ afforded two different salts formulated as (EDT-TTF-I)(DDQ) and (EDT-TTF-I2)2(DDQ)·(CH3CN), both characterized with a full charge transfer to the DDQ acceptor moiety and by short and linear halogen bonding interactions between the iodine atom as hal...