Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te)

Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te) Научная публикация

Журнал

Chemistry - A European Journal
ISSN: 0947-6539 , E-ISSN: 1521-3765

Вых. Данные

Год: 2018, Том: 24, Номер: 49, Страницы: 12983-12991 Страниц : 9 DOI: 10.1002/chem.201802257

Ключевые слова

anions; chalcogens; donor-acceptor systems; pseudohalides; receptors

Авторы

Semenov Nikolay A. ¹ , Gorbunov Dmitry E. ^2,3 , Shakhova Margarita V. ^2,3 , Salnikov Georgy E. ^1,4 , Bagryanskaya Irina Y. ¹ , Korolev Valery V. ² , Beckmann Jens ⁵ , Gritsan Nina P. ^2,3 , Zibarev Andrey V. ^1,3,6

Организации

1	(Данные Web of science) Russian Acad Sci, Inst Organ Chem, Siberian Branch, Novosibirsk 630090, Russia
2	(Данные Web of science) Russian Acad Sci, Inst Chem Kinet & Combust, Siberian Branch, Novosibirsk 630090, Russia
3	(Данные Web of science) Novosibirsk State Univ, Dept Phys, Novosibirsk 630090, Russia
4	(Данные Web of science) Novosibirsk State Univ, Dept Nat Sci, Novosibirsk 630090, Russia
5	(Данные Web of science) Univ Bremen, Inst Inorgan Chem & Crystallog, D-28359 Bremen, Germany
6	(Данные Web of science) Tomsk State Univ, Dept Chem, Tomsk 643050, Russia

Donor-acceptor (D-A) complexes between 3,4-dicyano-1,2,5-chalcogenadiazoles [chalcogen=Te (1 a), Se (1 b), S (1 c)] and the pseudohalides CN- and XCN- (X=O, S, Se, Te) were studied experimentally and theoretically. For 1 a, they were isolated as [K(18-crown-6)][1 a-CN] (2), [K(18-crown-6)][1 a-NCO] (3), [K(18-crown-6)][1 a-SCN] (4), [K(18-crown-6)][1 a-SeCN] (5), and [K][1 a-NCSe] (6) and characterized by X-ray diffraction (XRD), UV/Vis and NMR spectroscopy, and DFT and QTAIM calculations. For 1 b and 1 c, the complexes were not isolated due to unfavorable thermodynamics. In all isolated complexes, the D-A bonds, stabilized by negative hyperconjugation, were longer than the sum of the covalent radii and shorter than the sum of the van der Waals radii of the bonded atoms. In mixtures of 1 a, F-, and SeCN-, the complex [1 a-F](-) was selectively formed in accordance with thermodynamics. The reaction of 1 a with SeCN- and the cyclic trimeric perfluoro-ortho-phenylene mercury afforded the complex [K(18-crown-6)][SCN]center dot(o-C6F4Hg)(3), which was characterized by XRD.

Semenov N.A. , Gorbunov D.E. , Shakhova M.V. , Salnikov G.E. , Bagryanskaya I.Y. , Korolev V.V. , Beckmann J. , Gritsan N.P. , Zibarev A.V.
Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te)
Chemistry - A European Journal. 2018. V.24. N49. P.12983-12991. DOI: 10.1002/chem.201802257 WOS Scopus РИНЦ

Опубликована online:	27 июл. 2018 г.
Опубликована в печати:	3 сент. 2018 г.

Web of science	WOS:000443382500030
Scopus	2-s2.0-85051116252
РИНЦ	35712890
OpenAlex	W2805470142