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Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te). / Semenov, Nikolay A.; Gorbunov, Dmitry E.; Shakhova, Margarita V. et al.

In: Chemistry - A European Journal, Vol. 24, No. 49, 03.09.2018, p. 12983-12991.

Research output: Contribution to journal › Article › peer-review

Harvard

Semenov, NA, Gorbunov, DE, Shakhova, MV, Salnikov, GE, Bagryanskaya, IY, Korolev, VV, Beckmann, J, Gritsan, NP & Zibarev, AV 2018, '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, vol. 24, no. 49, pp. 12983-12991. https://doi.org/10.1002/chem.201802257

APA

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. (2018). 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, 24(49), 12983-12991. https://doi.org/10.1002/chem.201802257

Vancouver

Semenov NA, Gorbunov DE, Shakhova MV, Salnikov GE, Bagryanskaya IY, Korolev VV et al. 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 Sept 3;24(49):12983-12991. doi: 10.1002/chem.201802257

Author

Semenov, Nikolay A. ; Gorbunov, Dmitry E. ; Shakhova, Margarita V. et al. / Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te). In: Chemistry - A European Journal. 2018 ; Vol. 24, No. 49. pp. 12983-12991.

BibTeX

@article{a3bbd0e0f17f4a8baea299d6e9db344d,
title = "Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te)",
abstract = "Donor-acceptor (D-A) complexes between 3,4-dicyano-1,2,5-chalcogenadiazoles [chalcogen=Te (1a), Se (1b), S (1c)] and the pseudohalides CN- and XCN- (X=O, S, Se, Te) were studied experimentally and theoretically. For 1a, they were isolated as [K(18-crown-6)][1a-CN] (2), [K(18-crown-6)][1a-NCO] (3), [K(18-crown-6)][1a-SCN] (4), [K(18-crown-6)][1a-SeCN] (5), and [K][1a-NCSe] (6) and characterized by X-ray diffraction (XRD), UV/Vis and NMR spectroscopy, and DFT and QTAIM calculations. For 1b and 1c, 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 1a, F-, and SeCN-, the complex [1a-F]- was selectively formed in accordance with thermodynamics. The reaction of 1a with SeCN- and the cyclic trimeric perfluoro-ortho-phenylene mercury afforded the complex [K(18-crown-6)][SCN](o-C6F4Hg)3, which was characterized by XRD.",
keywords = "Anions, Chalcogens, Donor-acceptor systems, Pseudohalides, Receptors, pseudohalides, receptors, donor–acceptor systems, chalcogens, anions, COORDINATION CHEMISTRY, HETEROSPIN S-1, DESIGN, X-RAY-STRUCTURE, CHALCOGEN, MERCURY, donor-acceptor systems, CHARGE-TRANSFER COMPLEXES, ANION RECOGNITION, DERIVATIVES, EFFICIENT",
author = "Semenov, {Nikolay A.} and Gorbunov, {Dmitry E.} and Shakhova, {Margarita V.} and Salnikov, {Georgy E.} and Bagryanskaya, {Irina Y.} and Korolev, {Valery V.} and Jens Beckmann and Gritsan, {Nina P.} and Zibarev, {Andrey V.}",
note = "{\textcopyright} 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.",
year = "2018",
month = sep,
day = "3",
doi = "10.1002/chem.201802257",
language = "English",
volume = "24",
pages = "12983--12991",
journal = "Chemistry - A European Journal",
issn = "0947-6539",
publisher = "Wiley-VCH Verlag",
number = "49",

}

RIS

TY - JOUR

T1 - Donor-Acceptor Complexes between 1,2,5-Chalcogenadiazoles (Te, Se, S) and the Pseudohalides CN- and XCN- (X=O, S, Se, Te)

AU - Semenov, Nikolay A.

AU - Gorbunov, Dmitry E.

AU - Shakhova, Margarita V.

AU - Salnikov, Georgy E.

AU - Bagryanskaya, Irina Y.

AU - Korolev, Valery V.

AU - Beckmann, Jens

AU - Gritsan, Nina P.

AU - Zibarev, Andrey V.

N1 - © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

PY - 2018/9/3

Y1 - 2018/9/3

N2 - Donor-acceptor (D-A) complexes between 3,4-dicyano-1,2,5-chalcogenadiazoles [chalcogen=Te (1a), Se (1b), S (1c)] and the pseudohalides CN- and XCN- (X=O, S, Se, Te) were studied experimentally and theoretically. For 1a, they were isolated as [K(18-crown-6)][1a-CN] (2), [K(18-crown-6)][1a-NCO] (3), [K(18-crown-6)][1a-SCN] (4), [K(18-crown-6)][1a-SeCN] (5), and [K][1a-NCSe] (6) and characterized by X-ray diffraction (XRD), UV/Vis and NMR spectroscopy, and DFT and QTAIM calculations. For 1b and 1c, 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 1a, F-, and SeCN-, the complex [1a-F]- was selectively formed in accordance with thermodynamics. The reaction of 1a with SeCN- and the cyclic trimeric perfluoro-ortho-phenylene mercury afforded the complex [K(18-crown-6)][SCN](o-C6F4Hg)3, which was characterized by XRD.

AB - Donor-acceptor (D-A) complexes between 3,4-dicyano-1,2,5-chalcogenadiazoles [chalcogen=Te (1a), Se (1b), S (1c)] and the pseudohalides CN- and XCN- (X=O, S, Se, Te) were studied experimentally and theoretically. For 1a, they were isolated as [K(18-crown-6)][1a-CN] (2), [K(18-crown-6)][1a-NCO] (3), [K(18-crown-6)][1a-SCN] (4), [K(18-crown-6)][1a-SeCN] (5), and [K][1a-NCSe] (6) and characterized by X-ray diffraction (XRD), UV/Vis and NMR spectroscopy, and DFT and QTAIM calculations. For 1b and 1c, 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 1a, F-, and SeCN-, the complex [1a-F]- was selectively formed in accordance with thermodynamics. The reaction of 1a with SeCN- and the cyclic trimeric perfluoro-ortho-phenylene mercury afforded the complex [K(18-crown-6)][SCN](o-C6F4Hg)3, which was characterized by XRD.

KW - Anions

KW - Chalcogens

KW - Donor-acceptor systems

KW - Pseudohalides

KW - Receptors

KW - pseudohalides

KW - receptors

KW - donor–acceptor systems

KW - chalcogens

KW - anions

KW - COORDINATION CHEMISTRY

KW - HETEROSPIN S-1

KW - DESIGN

KW - X-RAY-STRUCTURE

KW - CHALCOGEN

KW - MERCURY

KW - donor-acceptor systems

KW - CHARGE-TRANSFER COMPLEXES

KW - ANION RECOGNITION

KW - DERIVATIVES

KW - EFFICIENT

UR - http://www.scopus.com/inward/record.url?scp=85051116252&partnerID=8YFLogxK

U2 - 10.1002/chem.201802257

DO - 10.1002/chem.201802257

M3 - Article

C2 - 29882626

AN - SCOPUS:85051116252

VL - 24

SP - 12983

EP - 12991

JO - Chemistry - A European Journal

JF - Chemistry - A European Journal

SN - 0947-6539

IS - 49

ER -

ID: 16072583