Organylselenoacetylene und selenocyanate; 77Se- und 13C-NMR-chemische verschiebungen und 77Se- 13C-spin-kopplungskonstanten |
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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 |
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Abstract: | 77Se and 13C NMR chemical shifts and 77Se-13C spinspin 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(77Se13C) values of the investigated compounds are discussed in relation to the corresponding alkyl- and vinyl-selenides. The 1J(77Se13C) values of the selenoacetylenes and selenocyanates as well as alkyl- and vinyl-selenides are linearly dependednt (i) on 1J(13C1H) 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 77Se13C coupling in dependence on hybridization. |
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