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231224s2012 xx |||||o 00| ||eng c |
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|a 10.1002/mrc.3874
|2 doi
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|a eng
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|a Manimekalai, A
|e verfasserin
|4 aut
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|a DFT and experimental determination of conformations of 2-(ethoxycarbonylmethoxy)-5-(arylazo)benzaldehydes and their oximes
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|c 2012
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|a Text
|b txt
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|a ƒaComputermedien
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|a Date Completed 05.08.2013
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|a Date Revised 11.10.2012
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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 2-(Ethoxycarbonylmethoxy)-5-(arylazo)benzaldehydes 1-4 and their oximes 5-8 were synthesized and characterized by IR, (1)H and (13)C NMR spectroscopy. The favoured conformations of aldehydes 1-4 and oximes 5-8 were predicted theoretically. Selected geometrical parameters and charges were derived from optimized structures. IR, (1)H and (13)C NMR data were also computed using Gaussian-03 package and compared with the observed values. (15)N and (17)O chemical shifts were also determined theoretically
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|a Journal Article
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|a Carbon Isotopes
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|a Oximes
|2 NLM
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|a Protons
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|a Balachander, R
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
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|g 50(2012), 11 vom: 01. Nov., Seite 765-71
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