The First Observation of the E,Z Configuration Of Ar-X-N=S=N-X-Ar (X = S, Se) Chains in the Crystalline State

The First Observation of the E,Z Configuration Of Ar-X-N=S=N-X-Ar (X = S, Se) Chains in the Crystalline State Full article

Journal

European Journal of Inorganic Chemistry
ISSN: 1434-1948 , E-ISSN: 1099-0682

Output data

Year: 2010, Number: 30, Pages: 4801-4810 Pages count : 10 DOI: 10.1002/ejic.201000607

Tags

Chalcogens; Crystal engineering; Density functional calculations; Configuration determination; Intermolecular interactions; Supramolecular chemistry

Authors

Makarov Arkady G. ¹ , Bagryanskaya Irina Yu ¹ , Gatilov Yuri V. ¹ , Kuratieva Natalia V. ² , Makarov Alexander Yu ¹ , Shakirov Makhmut M. ¹ , Alexeyev Alexey V. ² , Tersago Karla ³ , Van Alsenoy Christian ³ , Blockhuys Frank ³ , Zibarev Andrey V. ^1,4

Affiliations

1	(Данные Web of science) Russian Acad Sci, Inst Organ Chem, Novosibirsk 630090, Russia
2	Institute of Inorganic Chemistry, Russian Academy of Sciences
3	(Данные Web of science) Univ Antwerp, Dept Chem, B-2610 Antwerp, Belgium
4	(Данные Web of science) Novosibirsk State Univ, Dept Phys, Novosibirsk 630090, Russia

New oligomeric analogues of poly(sulfur nitride), i.e. 3-ClC6R4-X-N=S=N-X-C6R4Cl-3 (5-8; R = H, F and X = S, Se), were synthesized and structurally characterized in the solid state by single-crystal XRD, in solution by variable-temperature NMR spectroscopy and in the gas phase with DFT/B3LYP calculations. In the crystal, compounds 5-7 display the well-known Z,Z configuration, whereas 8 (R = F, X = Se) is the first compound to display the E,Z configuration amongst twelve structurally defined Ar-X-N=S=N-X-Ar (X = S, Se) derivatives in the hydrocarbon and fluorocarbon series. Through a careful analysis of the packing schemes and the intermolecular interactions of the various compounds, an explanation of the abnormal behaviour of 8 is put forward,

Makarov A.G. , Bagryanskaya I.Y. , Gatilov Y.V. , Kuratieva N.V. , Makarov A.Y. , Shakirov M.M. , Alexeyev A.V. , Tersago K. , Van Alsenoy C. , Blockhuys F. , Zibarev A.V.
The First Observation of the E,Z Configuration Of Ar-X-N=S=N-X-Ar (X = S, Se) Chains in the Crystalline State
European Journal of Inorganic Chemistry. 2010. N30. P.4801-4810. DOI: 10.1002/ejic.201000607 WOS Scopus РИНЦ

Published online:	Aug 24, 2010
Published print:	Oct 1, 2010

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