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231224s2012 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.3858
|2 doi
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|a pubmed25n0735.xml
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|a eng
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|a Rusakov, Yury Yu
|e verfasserin
|4 aut
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|a Open-chain unsaturated selanyl sulfides
|b stereochemical structure and stereochemical behavior of their 77Se-1H spin-spin coupling constants
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|c 2012
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Completed 29.01.2013
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|a Date Revised 21.11.2013
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2012 John Wiley & Sons, Ltd.
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|a Stereochemical structure of nine Z-2-(vinylsulfanyl)ethenylselanyl organyl sulfides has been investigated by means of experimental measurements and second-order polarization propagator approach calculations of their (1)H-(1)H, (13)C-(1)H, and (77)Se-(1)H spin-spin coupling constants together with a theoretical conformational analysis performed at the MP2/6-311G** level. All nine compounds were shown to adopt the preferable skewed s-cis conformation of their terminal vinylsulfanyl group, whereas the favorable rotational conformations with respect to the internal rotations around the C-S and C-Se bonds of the internal ethenyl group are both skewed s-trans. Stereochemical trends of (77)Se-(1)H spin-spin coupling constants originating in the geometry of their coupling pathways and the selenium lone pair effect were rationalized in terms of the natural J-coupling analysis within the framework of the natural bond orbital approach
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Isotopes
|2 NLM
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|a Sulfides
|2 NLM
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|a Selenium
|2 NLM
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|a H6241UJ22B
|2 NLM
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|a Krivdin, Leonid B
|e verfasserin
|4 aut
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|a Penzik, Maxim V
|e verfasserin
|4 aut
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|a Potapov, Vladimir A
|e verfasserin
|4 aut
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|a Amosova, Svetlana V
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 50(2012), 10 vom: 27. Okt., Seite 653-8
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnas
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| 773 |
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|g volume:50
|g year:2012
|g number:10
|g day:27
|g month:10
|g pages:653-8
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|u http://dx.doi.org/10.1002/mrc.3858
|3 Volltext
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