{"title":"溶剂对4-苯基-5-(2-噻吩基)-2,4-二氢- 3h -1,2,4-三唑-3-硫离子分子的影响:实验和理论研究","authors":"M. Temüz, P. Koparir, M. Yildirim","doi":"10.54565/jphcfum.1285639","DOIUrl":null,"url":null,"abstract":"In this study 4-phenyl-5-(2-thienyl)-2, 4-dihydro-3H-1,2,4-triazol-3-thion was synthesized using experimental method and later characterized using spectroscopic methods. The titled molecule is then designed, optimized and charaterized with theoretical first principle method. The result compared and the titled molecule is solvated with polar and non-polar solvent to see the effect of their interaction and changes that occurs in the spectroscopic results.","PeriodicalId":196782,"journal":{"name":"Journal of Physical Chemistry and Functional Materials","volume":"1 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Solvents Effect on 4-Phenyl-5-(2-Thienyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-Thion Molecule: Experimental And Theoretical Study\",\"authors\":\"M. Temüz, P. Koparir, M. Yildirim\",\"doi\":\"10.54565/jphcfum.1285639\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this study 4-phenyl-5-(2-thienyl)-2, 4-dihydro-3H-1,2,4-triazol-3-thion was synthesized using experimental method and later characterized using spectroscopic methods. The titled molecule is then designed, optimized and charaterized with theoretical first principle method. The result compared and the titled molecule is solvated with polar and non-polar solvent to see the effect of their interaction and changes that occurs in the spectroscopic results.\",\"PeriodicalId\":196782,\"journal\":{\"name\":\"Journal of Physical Chemistry and Functional Materials\",\"volume\":\"1 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-06-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Physical Chemistry and Functional Materials\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.54565/jphcfum.1285639\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physical Chemistry and Functional Materials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.54565/jphcfum.1285639","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Solvents Effect on 4-Phenyl-5-(2-Thienyl)-2,4-Dihydro-3H-1,2,4-Triazol-3-Thion Molecule: Experimental And Theoretical Study
In this study 4-phenyl-5-(2-thienyl)-2, 4-dihydro-3H-1,2,4-triazol-3-thion was synthesized using experimental method and later characterized using spectroscopic methods. The titled molecule is then designed, optimized and charaterized with theoretical first principle method. The result compared and the titled molecule is solvated with polar and non-polar solvent to see the effect of their interaction and changes that occurs in the spectroscopic results.