288-05-1Relevant articles and documents
Conformational analysis of 2-formylselenophene by means of 13C1H, 13C13C, and 77Se1H spinspin coupling constants
Rusakov, Yury Yu.,Krivdin, Leonid B.,Istomina, Natalia V.,Levanova, Ekaterina P.,Levkovskaya, Galina G.
, p. 734 - 738 (2009)
Theoretical energy-based conformational analysis of 2-formylselenophene performed at the MP2/6311G*level together with experimental measurements and SOPPA/aug-cc-pVTZ-J calculations of its 13C1H, 13C13C, and 77Se1H spinspin coupling constants showed that this compound predominantly adopts the s-cis conformation. Most of the spinspin coupling constants under study, especially vicinal 77Se1H couplings, demonstrate remarkable stereochemical behaviour with respect to the internal rotation of the formyl group, which is of major importance in stereochemical studies of the related selenium-containing compounds. CSIRO 2009.
Improved Synthesis of Selenophene
Mohmand, Shamsher,Bargon, Joachim,Waltman, Robert J.
, p. 3544 - 3545 (1983)
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The NMR Spectrum and Total Geometry of Selenophene Determined in the Liquid Crystal Medium ZLI 1167
Bechtold, William,Magruder, Brock G.,Goldstein, J. H.
, p. 173 - 175 (1982)
The calculated 12C, 13C and 77Se spectra of selenophene have been reproduced from the observed proton NMR spectrum in the orienting medium Merck ZLI 1167, and the entire ring structure computed.The effects on structure of vibration, solvent dependence of couplings and temperature have been explored.Most notable was the observation of a substantial increase in the Se-C bond length, comparable to that previously reported for selenophenone in Merck Phase IV.
Structural trends of 77Se-1H spin-spin coupling constants and conformational behavior of 2-substituted selenophenes
Rusakov, Yury Yu.,Krivdin, Leonid B.,Sauer, Stephan P. A.,Levanova, Ekaterina P.,Levkovskaya, Galina G.
experimental part, p. 44 - 52 (2010/04/06)
Experimental measurements and second-order polarization propagator approach (SOPPA) calculations of 77Se-1H spin-spin coupling constants together with theoretical energy-based conformational analysis in the series of 2-substituted selenophenes have been carried out. A new basis set optimized for the calculation of 77Se-1H spin-spin coupling constants has been introduced by extending the aug-cc-pVTZ-J basis for selenium. Most of the spin-spin coupling constants under study, especially vicinal 77Se-1H couplings, demonstrated a remarkable stereochemical behavior with respect to the internal rotation of the substituent in the 2-position of the selenophene ring, which is of major importance in the stereochemical studies of therelated organoselenium compounds. Copyright
Initiation of thermal reactions of sulfur compounds by dialkyl selenides
Deryagina,Sukhomazova,Levanova,Shilkina,Korchevin
, p. 359 - 363 (2007/10/03)
The use of diethyl selenide (20-40 mol %) as initiator in the gas-phase synthesis of thiophene from diethyl disulfide and acetylene increases the selectivity of the process and the yield of thiophene from 40 to 92%. As a result, this reaction becomes the most efficient preparative method for the synthesis of thiophene and also of selenophene which is formed in up to 70% yield. The complete conversion of both sulfur-and selenium-containing reagents is attained. Due to much different boiling points, thiophene and selenophene can readily be separated by rectification of the reaction mixture. Dialkyl selenides also initiate other thermal reactions of hydrogen sulfide and organic sulfides.