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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(s) -
Makarov Arkady G.,
Bagryanskaya Irina Yu.,
Gatilov Yuri V.,
Kuratieva Natalia V.,
Makarov Alexander Yu.,
Shakirov Makhmut M.,
Alexeyev Alexey V.,
Tersago Karla,
Van Alsenoy Christian,
Blockhuys Frank,
Zibarev Andrey V.
Publication year - 2010
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201000607
Subject(s) - chemistry , crystallography , intermolecular force , crystal structure , solid state , nitride , fluorocarbon , gas phase , single crystal , stereochemistry , molecule , organic chemistry , layer (electronics)
New oligomeric analogues of poly(sulfur nitride), i.e. 3‐ClC 6 R 4 –X–N=S=N–X–C 6 R 4 Cl‐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.