Naslov
Halogen and hydrogen bonds with halogenide ions – database survey and crystal structure analysis of o-, m- and p- iodopyridinium halogenides

Autori
Fotović, Luka ; Stilinović, Vladimir

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

Izvornik
III. simpozij supramolekulske kemije Supramolecular Chemistry 2019 : knjiga sažetaka / Frkanec, Leo ; Namjesnik, Danijel ; Tomišić, Vladislav - Zagreb : Institut Ruđer Bošković, 2019, 24-24

Skup
3. simpozij supramolekulske kemije (Supramolecular Chemistry 2019)

Mjesto i datum
Zagreb, Hrvatska, 03.12.2019

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
halogen bond ; hydrogen bond ; iodopyridinium halogenides

Sažetak
Halogen and hydrogen bonds, two valuable tools for supramolecular chemistry and crystal engineering, are almost equal due to their strength and directionality as well as in trends in which they change.[1] Due to their negative charge and electron richness, halide ions can act as both halogen and hydrogen bond acceptors. Hydrogen bond strength increases from larger to smaller halide anions. There is, however, no clearly established trend in strengths of halogen bonds with halide anions as acceptors to date ; some studies report smaller halide anions are weaker halogen bond acceptors, while others report the opposite trend.[2, 3] A possible way to study the difference in hydrogen and halogen bond proclivity as a function of the halogenide size is constructing materials in which the halogenide ions act simultaneously as halogen and hydrogen bond acceptors. However, very few systematic studies of such systems have been published to date.[4, 5] Therefore, we have undertaken a combined data-mining (Cambridge Structure Database) [6] and an experimental study of halogenide salts containing simultaneous halogen and hydrogen bonds. Specifically, we have studied chlorides, bromides and iodides of o-, m- and piodopyridine, which has allowed as a detailed investigation of the interrelationship between the hydrogen and halogen bonding with the studied halogenide acceptors. In all prepared salts, the halogenide ions and iodopyridine cations were connected through both C–I⋯X− halogen and N–H⋯X− hydrogen bonds. The hydrogen bond was found to be more sensitive to the change of the halide anion as an acceptor than the halogen bond. Although it was not possible to establish any significant trend of halogen bond strengths within the system, the preference of lighter halogenide anions to hydrogen bond and heavier halogenide anions to halogen bond has been observed from crystal structure of double salt, o-iodopyridinium chloride iodide.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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