کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1232177 968787 2010 12 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Spectrometric studies and theoretical calculations of some β-ketonitriles
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Spectrometric studies and theoretical calculations of some β-ketonitriles
چکیده انگلیسی

The tautomerism of some β-ketonitriles is investigated by the analysis of their mass spectra and theoretical calculations performed at the MP2/6-31G(d,p) level. The mass spectra of some β-ketonitriles can provide valuable information regarding the keto-enol and nitrile-ketenimine equilibria taking place in the gas phase. The predictive value of this methodology is supported by the influence of the nature and size of substituents on tautomeric equilibria and the rather good correlation existing between the abundance ratios of selected fragments. Results show that the tautomeric equilibria of these bifunctional compounds can be evaluated by mass spectrometry.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 77, Issue 2, 1 October 2010, Pages 485–496
نویسندگان
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