Naslov
Antagonism of halogen and hydrogen bonds in crystal structures of meta-halogenopyridine derivatives

Autori
Stilinović, Vladimir ; Cinčić, Dominik

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Solid state science and research 2019 : book of abstracts / Biliškov, Nikola - Zagreb : Institut Ruđer Bošković, 2019, 48-48

ISBN
978-953-7941-32-1

Skup
Solid State Science and Research Meeting

Mjesto i datum
Zagreb, Hrvatska, 27.06.2019. - 29.06.2019

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
halogen bond ; hydrogen bond ; halogenopyridine derivatives

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 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 the halogen, the only significant variable being the ability of the m-XPy 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 slight antagonistic interdependence between the two interactions.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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