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231224s2011 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.2728
|2 doi
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|a pubmed24n0689.xml
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|a DE-627
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|e rakwb
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|a eng
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|a Walton, Ian
|e verfasserin
|4 aut
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|a Conformational and configurational analysis of an N,N carbonyl dipyrrinone-derived oximate and nitrone by NMR and quantum chemical calculations
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|c 2011
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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 05.08.2011
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|a Date Revised 14.04.2011
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|a published: Print-Electronic
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|a Citation Status MEDLINE
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|a Copyright © 2011 John Wiley & Sons, Ltd.
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|a The geometries and relative energies of new N,N carbonyl dipyrrinone-derived oxime molecules (E/Z-s-cis 4a and E/Z-s-cis 4b) have been investigated. The calculated energies, molecular geometries, and (1) H/(13) C NMR chemical shifts agree with experimental data, and the results are presented herein. The E-s-cis conformations of 4a and 4b and the Z-s-cis conformation of 5b were found to be the thermodynamically most stable isomers with the oxime hydrogen atom or the methyl functional group adopting an anti-orientation with respect to the dipyrrinone group. This conformation was unambiguously supported by a number of 2D NMR experiments
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|a Journal Article
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|a Research Support, Non-U.S. Gov't
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Antidotes
|2 NLM
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|a Cholinesterase Reactivators
|2 NLM
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|a Nitrogen Oxides
|2 NLM
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|a Oximes
|2 NLM
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|a Pyridinium Compounds
|2 NLM
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|a nitrones
|2 NLM
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|a Davis, Marauo
|e verfasserin
|4 aut
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|a Yang, Liu
|e verfasserin
|4 aut
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|a Zhang, Yong
|e verfasserin
|4 aut
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|a Tillman, Destin
|e verfasserin
|4 aut
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|a Jarrett, William L
|e verfasserin
|4 aut
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|a Huggins, Michael T
|e verfasserin
|4 aut
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|a Wallace, Karl J
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 49(2011), 5 vom: 01. Mai, Seite 205-12
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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|g volume:49
|g year:2011
|g number:5
|g day:01
|g month:05
|g pages:205-12
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|u http://dx.doi.org/10.1002/mrc.2728
|3 Volltext
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