Naslov
Diverse stacking of TCNQ radical anions in different satlts with organic cations

Autori
Stanić, Petra ; Molčanov, Krešimir

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

Izvornik
27th Croatian Meeting of Chemists and Chemical Engineers and 5th Symposium Vladimir Prelog : Book of Abstracts / Marković, Dean ; Meštrović, Ernest ; namjesnik, Danijel ; Tomašić, Vesna - Zagreb : Hrvatsko kemijsko društvo, 2021, 121-121

Skup
27. hrvatski skup kemičara i kemijskih inženjera (27HSKIKI) ; 5. simpozij Vladimir Prelog

Mjesto i datum
Veli Lošinj, Hrvatska, 05.10.2021. - 08.10.2021

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, and is considered mostly as a weak interaction. However, recent studies in crystal engineering show that energy of some π-π contacts may be comparable to stronger intermolecular interactions such as hydrogen bonding. Therefore, π-stacking has become an interesting and important field in supramolecular chemistry and it has a big role in design of functional materials such as optoelectronics, magnetic and conductive molecular materials.[1, 2] Herein we report studies on stacking of 7, 7, 8, 8- tetracyanoquinodimethane (TCNQ) radical anions on its 8 salts with organic cations: tetrazolium, 2-amino-5-metil-N- methylpyridinium, N-ethyl-2-methylpyridinium, 1, 4- dimethyl-DABCO cation, 2-chloro-N-methylpyridinium, 2-amino- pyridinium, N, N-dipyridylmethanium and phenyltrimethylammonium cations. In studied compounds stacking interactions are predominant with interplanar separations between TCNQ rings of 3, 0 – 3, 3 Å. Besides that, in some salts N–H···N and C–H···N hydrogen bonds are present. TCNQ moieties form stacks of dimers or trimers with alternating shorter and longer separation between TCNQ rings or stacks in columns with equidistant separations (Figure 1). Formal charges of TCNQ moieties in these salts are –1/2, –2/3 and –4/5.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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