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231223s2010 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.2614
|2 doi
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|a pubmed25n0679.xml
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|a (DE-627)NLM203859391
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|a (NLM)21104762
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Fedorov, Sergey V
|e verfasserin
|4 aut
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|a Trivinylphosphine and trivinylphosphine chalcogenides
|b stereochemical trends of ³¹P-¹H spin-spin coupling constants
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|c 2010
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Completed 22.03.2011
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|a Date Revised 24.11.2010
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|a published: Print
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|a Citation Status MEDLINE
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|a Copyright © 2010 John Wiley & Sons, Ltd.
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|a A combined theoretical and experimental study of the stereochemical behavior of (31)P-(1)H spin-spin coupling constants has been performed in the series of trivinylphosphine and related trivinylphosphine oxide, sulfide and selenide. Theoretical energy-based conformational analysis of the title compounds performed at the MP2/6-311G** level reveals that each of the four compounds of this series exists in the equilibrium mixture of five true-minimum conformers, namely s-cis-s-cis-s-cis, s-cis-s-cis-gauche, syn-s-cis-gauche-gauche, anti-s-cis-gauche-gauche and gauche-gauche-gauche, which were taken into account in the conformational averaging of (31)P-(1)H spin-spin couplings calculated at the second-order polarization propagator approach/aug-cc-pVTZ-J level of theory. All (31)P-(1)H spin-spin coupling constants involving phosphorus and either of the vinyl protons are found to demonstrate a marked stereochemical dependences with respect to the geometry of the coupling pathway and internal rotation of the vinyl group around the P-C bond which is of major importance in the stereochemical studies of the unsaturated phosphines and phosphine chalcogenides
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Chalcogens
|2 NLM
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|a Phosphorus Isotopes
|2 NLM
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|a Protons
|2 NLM
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|a Vinyl Compounds
|2 NLM
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|a Krivdin, Leonid B
|e verfasserin
|4 aut
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|a Rusakov, Yury Yu
|e verfasserin
|4 aut
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|a Chernysheva, Nataliya A
|e verfasserin
|4 aut
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| 700 |
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|a Mikhailenko, Valentina L
|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 48 Suppl 1(2010) vom: 25. Dez., Seite S48-55
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
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|g volume:48 Suppl 1
|g year:2010
|g day:25
|g month:12
|g pages:S48-55
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|u http://dx.doi.org/10.1002/mrc.2614
|3 Volltext
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|d 48 Suppl 1
|j 2010
|b 25
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|h S48-55
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