Raman Study of Intermediates Formed During the Electrochemical N-Nitrosation of Secondary Amines

IF 6.1 Q1 CHEMISTRY, MULTIDISCIPLINARY
Scott Richardson, Dr. Rasool Babaahmadi, Dr. Lee E. Edwards, Rojan Ali, Prof. Dr. Rebecca L. Melen, Prof. Debdulal Roy, Prof. Dr. Thomas Wirth
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Abstract

An in situ electrochemical Raman method is described to identify and validate the reaction pathway of amine nitrosations using density functional theory (DFT). In this reaction, sodium nitrite is used as an affordable and readily available nitrosating reagent, which also serves as an electrolyte in the reaction. This is a green approach towards nitrosations as it does not require the use of acids and other harsh or toxic solvents and chemicals. Intermediate species have been detected using Raman spectroscopy and are correlated with the calculated spectra expected in the reaction pathway to the N-nitrosamine products.

Abstract Image

仲胺电化学n -亚硝化过程中中间体的拉曼研究
利用密度泛函理论(DFT),建立了一种原位电化学拉曼方法来识别和验证胺亚硝化反应途径。在这个反应中,亚硝酸钠被用作一种价格合理且容易获得的亚硝化试剂,它也在反应中充当电解质。这是一种绿色的亚硝化方法,因为它不需要使用酸和其他苛刻或有毒的溶剂和化学品。利用拉曼光谱检测到中间物质,并与n -亚硝胺产物反应路径的计算光谱相关联。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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CiteScore
7.30
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