Scott Richardson, Dr. Rasool Babaahmadi, Dr. Lee E. Edwards, Rojan Ali, Prof. Dr. Rebecca L. Melen, Prof. Debdulal Roy, Prof. Dr. Thomas Wirth
{"title":"仲胺电化学n -亚硝化过程中中间体的拉曼研究","authors":"Scott Richardson, Dr. Rasool Babaahmadi, Dr. Lee E. Edwards, Rojan Ali, Prof. Dr. Rebecca L. Melen, Prof. Debdulal Roy, Prof. Dr. Thomas Wirth","doi":"10.1002/cmtd.202400067","DOIUrl":null,"url":null,"abstract":"<p>An <i>in situ</i> 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 <i>N</i>-nitrosamine products.</p>","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 3","pages":""},"PeriodicalIF":6.1000,"publicationDate":"2025-01-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400067","citationCount":"0","resultStr":"{\"title\":\"Raman Study of Intermediates Formed During the Electrochemical N-Nitrosation of Secondary Amines\",\"authors\":\"Scott Richardson, Dr. Rasool Babaahmadi, Dr. Lee E. Edwards, Rojan Ali, Prof. Dr. Rebecca L. Melen, Prof. Debdulal Roy, Prof. Dr. Thomas Wirth\",\"doi\":\"10.1002/cmtd.202400067\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>An <i>in situ</i> 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 <i>N</i>-nitrosamine products.</p>\",\"PeriodicalId\":72562,\"journal\":{\"name\":\"Chemistry methods : new approaches to solving problems in chemistry\",\"volume\":\"5 3\",\"pages\":\"\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2025-01-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400067\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemistry methods : new approaches to solving problems in chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/cmtd.202400067\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry methods : new approaches to solving problems in chemistry","FirstCategoryId":"1085","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cmtd.202400067","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Raman Study of Intermediates Formed During the Electrochemical N-Nitrosation of Secondary Amines
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.