Naslov
Stacking patterns of TCNQ radical anions in different salts with organic cations

Autori
Stanić, Petra ; Molčanov, Krešimir

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

Izvornik
Solid State Science & Research Meeting: Book of Abstracts and Programme / Biliškov, Nikola ; Brekalo, Ivana ; Martinez, Valentina - Zagreb : Institut Ruđer Bošković, 2021, 95-95

ISBN
978-953-7941-35-2

Skup
Solid-State Science & Research 2021 (SCIRES2021)

Mjesto i datum
Zagreb, Hrvatska, 10.06.2021. - 11.06.2021

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
π-stacking ; TCNQ ; radical anions

Sažetak
π-stacking is a well-known type of intermolecular interaction which occurs usually between aromatic rings, but also between non-aromatic π-systems. It is considered mostly as weak interaction ; however recent studies show that energy of such contacts may be as high as energy of strong intermolecular interactions. Therefore, π-stacking has an important role in crystal engineering of functional materials such as optoelectronics, magnetic and conductive molecular materials. [1] Herein we have studied stacking of 7, 7, 8, 8- tetracyanoquinodimethane (TCNQ) radical anions on its 6 diverse salts with organic cations: tetrazolium, 2-amino-5mentil-N-methylpyridinium, N- ethyl-2-methylpyridinium, 1, 4-dimethyl-DABCO cation, 2-chloro-N-methylpyridinium and 2- aminopyridinium cations. Formal charges of TCNQ moieties in these salts are -1/2, -2/3 and -4/5. They form stacks with alternating shorter and longer separation between TCNQ rings (dimers or trimers) or stacks in columns with equidistant separations (Fig 1). In these compounds stacking interactions are predominant with interplanar separations between rings of 3, 0 – 3, 3 Å. Furthermore, in some salts between components N– H∙∙∙N and C–H∙∙∙N hydrogen bonds are present.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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