Naslov
Inorganic bromine in organic molecular crystals: Database survey and four case studies

Autori
Nemec, Vinko ; Lisac, Katarina ; Stilinović, Vladimir ; Cinčić, Dominik

Izvornik
Journal of molecular structure (0022-2860) 1128 (2017); 400-409

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
molecular crystals ; bromine ; bromide ; tribromide ; cocrystals

Sažetak
We present a Cambridge Structural Database and experimental study of multicomponent molecular crystals containing bromine. The CSD study covers supramolecular behaviour of bromide and tribromide anions as well as halogen bonded dibromine molecules in crystal structures of organic salts and cocrystals, and a study of the geometries and complexities in polybromide anion systems. In addition, we present four case studies of organic structures with bromide, tribromide and polybromide anions as well as the neutral dibromine molecule. These include the first observed crystal with diprotonated phenazine, a double salt of phenazinium bromide and tribromide, a cocrystal of 4-methoxypyridine with the neutral dibromine molecule as a halogen bond donor, as well as bis(4-methoxypyridine)bromonium polybromide. Structural features of the four case studies are in the most part consistent with the statistically prevalent behaviour indicated by the CSD study for given bromine species, although they do exhibit some unorthodox structural features and in that indicate possible supramolecular causes for aberrations from the statistically most abundant (and presumably most favourable) geometries.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA