Ana L. M. Batista de Carvalho, S. M. Fiuza, J. Tomkinson, Luís A. E. Batista de Carvalho, M. Paula M. Marques
{"title":"Pt(II) Complexes with Linear Diamines—Part I: Vibrational Study of Pt-Diaminopropane","authors":"Ana L. M. Batista de Carvalho, S. M. Fiuza, J. Tomkinson, Luís A. E. Batista de Carvalho, M. Paula M. Marques","doi":"10.1155/2012/206297","DOIUrl":null,"url":null,"abstract":"A conformational analysis of the Pt(dap)Cl2 complex (dap=1,3-diaminopropane) was performed by vibrational spectroscopy (FTIR, Raman, and INS), coupled to quantum mechanical methods within the density functional theory (DFT) and effective core potential (ECP) approaches. A complete spectral assignment of the system was achieved, due to the combined use of all available vibrational spectroscopic techniques. A good agreement was found between experimental and theoretical results, as well as with reported data for analogous complexes (e.g., cisplatin).","PeriodicalId":51163,"journal":{"name":"Spectroscopy-An International Journal","volume":"211 1","pages":"403-413"},"PeriodicalIF":0.0000,"publicationDate":"2012-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"11","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectroscopy-An International Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1155/2012/206297","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 11
Abstract
A conformational analysis of the Pt(dap)Cl2 complex (dap=1,3-diaminopropane) was performed by vibrational spectroscopy (FTIR, Raman, and INS), coupled to quantum mechanical methods within the density functional theory (DFT) and effective core potential (ECP) approaches. A complete spectral assignment of the system was achieved, due to the combined use of all available vibrational spectroscopic techniques. A good agreement was found between experimental and theoretical results, as well as with reported data for analogous complexes (e.g., cisplatin).