Pregled bibliografske jedinice broj: 1097507
Interdependance of halogen and hydrogen bonds in crystal structures of meta-halogenpyridine salts and cocrystals
Interdependance of halogen and hydrogen bonds in crystal structures of meta-halogenpyridine salts and cocrystals // 1st International Conference on Noncovalent Interactions, ICNI 2019 : Book of Abstracts
Lisabon, Portugal, 2019. str. 163(O4)-163(O4) (predavanje, međunarodna recenzija, sažetak, znanstveni)
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Naslov
Interdependance of halogen and hydrogen bonds in
crystal structures of meta-halogenpyridine salts
and cocrystals
Autori
Stilinović, Vladimir ; Cinčić, Dominik
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
1st International Conference on Noncovalent Interactions, ICNI 2019 : Book of Abstracts
/ - , 2019, 163(O4)-163(O4)
Skup
1st Interantional Conference on Noncovalent Interactions, (ICNI 2019)
Mjesto i datum
Lisabon, Portugal, 02.09.2019. - 06.09.2019
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
halogen bond ; hydrogen bond ; halogenopyridine ; halogenopyridine cocrystals
(halogen bond ; hydrogen bond ; halogenopyridine salts ; halogenopyridine cocrystals)
Sažetak
Most general descriptions of halogen bond (XB) emphasize its similarity to hydrogen bond (HB). These are mostly based on comparison between XB and HB in different systems, and only a handful of studies have been made in order to study the systems in which the two interactions coexist. Therefore, there is very little data on the mutual dependence of the two interactions, when the same molecules participate in both. Here we shall present a study of the said in salts and cocrystals of organic acids with meta- halogenopyridines (m-XPy, X = Cl, Br, I). The dominant interaction in these structures is the O– H···N (or O-···H–N+) hydrogen bond between the acid and the pyridine. This bond however can be affected by the additional halogen bond. The effect can be measured within series of isostructural compounds derived from the same acid and different m-XPy-s, as the steric properties and basicity change very little with the change of halogen, the only significant variable being the ability of the m-PyX to form halogen bond (which increases with the size of the halogen). In this way we were able to study the subtle interplay of halogen and hydrogen bond, revealing an apparent antagonistic interdependence between the two interactions both in the cases where proton transfer along the HB has and has not occurred.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
HRZZ-IP-2014-09-7367 - Kristalno inženjerstvo višekomponentinih metaloorganksih materijala povezanih halogenskom vezom: ususret supramolekulskom ugađanju strukture i svojstava (CrystEngMOM) (Cinčić, Dominik, HRZZ - 2014-09) ( CroRIS)
Ustanove:
Prirodoslovno-matematički fakultet, Zagreb
