K. Logacheva, P. Gergelezhiu, E. Raksha, L. Savostina, G. Arzumanyan, A. Eresko, S. Malakhov, K. Mamatkulov, O. Ponomareva, A. Belushkin, D. Chudoba
{"title":"Vibrational Spectroscopic Features of Ibuprofen and Ketoprofen: IR and Raman Spectroscopy Combined with DFT Calculations","authors":"K. Logacheva, P. Gergelezhiu, E. Raksha, L. Savostina, G. Arzumanyan, A. Eresko, S. Malakhov, K. Mamatkulov, O. Ponomareva, A. Belushkin, D. Chudoba","doi":"10.1134/s1547477124700730","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Vibrational spectroscopic features of ibuprofen and ketoprofen (non-steroidal anti-inflammatory drugs) were determined as a result of joint analysis of experimental and DFT-calculated data. There is a good agreement between the experimental (IR, Raman) and calculated (BP86/def2-SVP) vibrational frequencies of ibuprofen and ketoprofen.</p>","PeriodicalId":730,"journal":{"name":"Physics of Particles and Nuclei Letters","volume":"9 1","pages":""},"PeriodicalIF":0.4000,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics of Particles and Nuclei Letters","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1134/s1547477124700730","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, PARTICLES & FIELDS","Score":null,"Total":0}
引用次数: 0
Abstract
Vibrational spectroscopic features of ibuprofen and ketoprofen (non-steroidal anti-inflammatory drugs) were determined as a result of joint analysis of experimental and DFT-calculated data. There is a good agreement between the experimental (IR, Raman) and calculated (BP86/def2-SVP) vibrational frequencies of ibuprofen and ketoprofen.
期刊介绍:
The journal Physics of Particles and Nuclei Letters, brief name Particles and Nuclei Letters, publishes the articles with results of the original theoretical, experimental, scientific-technical, methodological and applied research. Subject matter of articles covers: theoretical physics, elementary particle physics, relativistic nuclear physics, nuclear physics and related problems in other branches of physics, neutron physics, condensed matter physics, physics and engineering at low temperatures, physics and engineering of accelerators, physical experimental instruments and methods, physical computation experiments, applied research in these branches of physics and radiology, ecology and nuclear medicine.