Naslov
Salts of 1,1,2,3,3-pentacyanopropenide carbanion with aromatic cations

Autori
Štrbac, Petar ; Milašinović, Valentina ; Molčanov, Krešimir

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

Izvornik
The Twenty-eighth Croatian-Slovenian Crystallographic Meeting : Book of Abstracts / - Zagreb, 2022, 66-66

Skup
28th Croatian-Slovenian Crystallographic Meeting

Mjesto i datum
Poreč, Hrvatska, 07.09.2022. - 11.09.2022

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
carbanions ; pentacyanopropenide ; pyridine

Sažetak
1, 1, 2, 3, 3-Pentacyanopropenide (Fig.1 left) is one of the most stable carbanions, whose salts are easily crystallised. The reason of its high stability is inductive effect of its five electron-withdrawing cyano-substituents. As a result, a negative charge is delocalised over the central propenide fragment. Up-to-date over 50 crystal structures with pentacyanopropenide have been published [1] ; these involve various salts of a free carbanion [2] and its transition metal complexes [3]. In this work we present three novel salts of pentacyanopropenide with three analogous organic cations, 2-methyl-N-pyridinium, 3-chloro-N-pyridinium and 4-methyl-N-pyridinium (Fig. 1 right). It is known that geometry of the pentacyanopropenide carbanion is easily affected by crystal field effects, so it often deviates from its calculated minimum-energy configuration, which has a molecular symmetry C2v. Therefore, we studied in detail effect of crystal packing and intermolecular interactions on geometry of the carbanion three salts with similar cations.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA