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Organylselenoacetylene und selenocyanate; 77Se- und 13C-NMR-chemische verschiebungen und 77Se- 13C-spin-kopplungskonstanten
Institution:1. A.E. Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Center, Russian Academy of Sciences, Arbuzov str. 8, Kazan 420088, Russian Federation;2. Molecular Tectonics Laboratory, University of Strasbourg, UMR UDS-CNRS 7140, Institut le Bel, 4, rue Blaise Pascal, F-67000 Strasbourg, France;3. Kazan Federal University, Kremlevskaya str.18, 420008 Kazan, Russian Federation
Abstract:77Se and 13C NMR chemical shifts and 77Se-13C spinspin coupling constants of mono- and bis(organylseleno)acetylenes and organyl selenocyanates are shown. The changes of 77Se chemical shifts caused by variation of the organyl groups are well reflected by known increments. The δ(77Se) and 1J(77Se13C) values of the investigated compounds are discussed in relation to the corresponding alkyl- and vinyl-selenides. The 1J(77Se13C) values of the selenoacetylenes and selenocyanates as well as alkyl- and vinyl-selenides are linearly dependednt (i) on 1J(13C1H) values of the corresponding hydrocarbons, hydrogen cyanide respectively and (ii) on the product of the s-characters of the coupled Se and C atoms. These linear correlations prove the predominance of the Fermi contact term for changes of the one-bond 77Se13C coupling in dependence on hybridization.
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