И. Л. Пластун, П.А. Жулидин, П.Д. Филин, Р.Ю. Яковлев
{"title":"Влияние перекристаллизации на инфракрасный спектр модифицированного глицина","authors":"И. Л. Пластун, П.А. Жулидин, П.Д. Филин, Р.Ю. Яковлев","doi":"10.21883/os.2023.06.55918.118-23","DOIUrl":null,"url":null,"abstract":"Changes in the physicochemical and spectral characteristics of glycine due to its modification are explained. Experimentally measured IR spectra of glycine were compared with the calculated spectra by Density Functional Theory (DFT) methods. Effect of single water molecules bound to glycine after recrystallization procedure was analyzed. Influence of hydrogen bonding on the modified glycine spectral characteristics and physicochemical properties change was evaluated.","PeriodicalId":24059,"journal":{"name":"Оптика и спектроскопия","volume":"178 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Оптика и спектроскопия","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.21883/os.2023.06.55918.118-23","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Changes in the physicochemical and spectral characteristics of glycine due to its modification are explained. Experimentally measured IR spectra of glycine were compared with the calculated spectra by Density Functional Theory (DFT) methods. Effect of single water molecules bound to glycine after recrystallization procedure was analyzed. Influence of hydrogen bonding on the modified glycine spectral characteristics and physicochemical properties change was evaluated.