Title
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
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Weinheim ,
Subject
Chemistry
Source (journal)
European journal of inorganic chemistry. - Weinheim
Volume/pages
(2010) :30 , p. 4801-4810
ISSN
1434-1948
ISI
000284237700008
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
New oligomeric analogues of poly(sulfur nitride), i.e. 3-ClC6R4XN=S=NXC6R4Cl-3 (58; 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 57 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 ArXN=S=NXAr (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.
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