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Determination of heats of tautomerization of nitrile-ketenimine by mass spectrometry

机译:质谱法测定腈-酮亚胺的互变异构化热量

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摘要

Tautomerism of some nitriles has been studied by mass spectrometry. The analysis of the corresponding mass spectra has allowed some fragmentations to specific tautomers to be assigned and the heats of tautomerization to be determined through temperature effects and electron energy studies. Experimental determinations are supported by theoretical calculations. The joint analysis of mass spectrometry and DFT-B3LYP data indicate that this tautomeric equilibrium can be studied by the experimental spectrometric strategy employed.
机译:已经通过质谱研究了一些腈的互变异构。通过对相应质谱的分析,可以确定特定互变异构体的某些碎片,并可以通过温度效应和电子能量研究确定互变异构化的热量。实验确定得到理论计算的支持。质谱分析和DFT-B3LYP数据的联合分析表明,可以通过采用实验光谱方法研究互变异构平衡。

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