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) Full article

Journal

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

Output data

Year: 2018, Volume: 24, Number: 49, Pages: 12983-12991 Pages count : 9 DOI: 10.1002/chem.201802257

Tags

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

Authors

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

Affiliations

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

Published online:	Jul 27, 2018
Published print:	Sep 3, 2018

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