沙坦类衍生物分子结构及光谱性质的研究-南京师范大学学报.pdf

31 1 () Vol. 31 No. 1 2008 3 JOURNAL OF NANJING NORMAL UNIVERSITY ( Natural Scie ce Editio ) M ar, 2008 1 1 1 2 , , , ( 1. , 210097; 2. , 211198) * [ ] , B3LYP /6- 31G , ; , . : ; , . , DNA. [ ] , , , [ ] O641- 3 [] A [] 2008) Study on the M olecular Structures and Spectroscop ic P roperties of Sartan D erivatives 1 1 1 2 Ro g Yuzh i, Zhao Bo , Hua g X iaohua, Wu Yu ( 1. School of Chem istry a d E viro m e tal Scie ce, Na ji g N orm alU iversity, N a ji g 210097, Chi a) ( 2. Departm e t of Basic Scie ce, Chi a Pharm aceuticalU iversity, N a ji g 211198, Chi a ) A bstrac t: Irbesarta a d valsarta as sarta derivatives are sy thesized separately, a d they are fully optmi ized at the * B3LYP /6- 31G level. The electro ic absorptio spectra are calcu lated usi g tmi e depe de t de sityfu ctio al theory at the same level, a d the fluoresce ce spectra i m etha olwater solutio arem easured a d their fluoresce ce qua tum yields are determ i ed. By compari g the absorptio spectra a d fluoresce ce em issio spectra of the wt o compou ds, it ca be co cluded that the p la arity a d co jugatio betw ee the tetrazole ri g a d be ze e ri g have a effect o the m axmi um absorptio peak; the fluoresce ce respo se i creasesw ith the form atio of i tram olecular hydroge bo ds, a d the fluoresce ce em iss io peaks are greatly i flue ced by the pla arity a