[1]荣玉芝,赵 波,黄晓华,等.沙坦类衍生物分子结构及光谱性质的研究[J].南京师大学报(自然科学版),2008,31(01):71-74.
　Rong Yuzhi,Zhao Bo,Huang Xiaohua,et al.Study on the Molecular Structures and Spectroscopic Properties of Sartan Derivatives[J].Journal of Nanjing Normal University(Natural Science Edition),2008,31(01):71-74.
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沙坦类衍生物分子结构及光谱性质的研究()
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《南京师大学报（自然科学版）》[ISSN:1001-4616/CN:32-1239/N]

卷:
第31卷
期数:
2008年01期
页码:
71-74
栏目:
化学
出版日期:
2008-03-30

文章信息/Info

Title:
Study on the Molecular Structures and Spectroscopic Properties of Sartan Derivatives
作者:
荣玉芝1;  赵  波1;  黄晓华1;  吴  芸2
1. 南京师范大学化学与环境科学学院, 江苏南京210097; 2. 中国药科大学基础部, 江苏南京211198
Author(s):
Rong Yuzhi1;  Zhao Bo1;  Huang Xiaohua1;  Wu Yun2
1.School of Chemistry and Environmental Science, Nanjing Normal University, Nanjing 210097, China
关键词:
沙坦衍生物;  密度泛函理论;  电子光谱;  荧光光谱
Keywords:
sartan derivatives;  density functiona l theo ry;  e lectron ic spectrum;  fluo rescence spec trum
分类号:
R914
摘要:
合成了沙坦类衍生物依贝沙坦和缬沙坦,运用密度泛函理论B3LYP/6-31G*方法对它们的几何构型进行全优化,并用含时密度泛函方法计算电子吸收光谱;测量它们甲醇水溶液的荧光光谱,并计算出各自的荧光量子效率.这两种化合物的吸收光谱和荧光发射光谱的比较分析表明:四唑环和苯环之间的共平面性和共轭程度对最大吸收峰的峰位和吸收强度有影响;分子内氢键的形成增强了分子的荧光响应,两个苯环之间的共平面性和共轭程度对荧光发射峰的峰位和荧光强度有很大影响.依贝沙坦和缬沙坦均有较高的荧光量子效率,可以作为荧光探针用于与DNA、蛋
Abstract:
Irbesartan and va lsartan as sartan der iva tives are synthesized separate ly, and they are fully optim ized at the B3LYP /6- 31G* leve .l The electronic abso rption spectra are calcu lated using tim e dependent density-functiona l theory a t the same leve,l and the fluo rescence spec tra in m ethano l-wa ter so lution arem easured and the ir fluorescence quantum y ields are determ ined. By compar ing the abso rption spectra and fluo rescence em ission spectra o f the tw o compounds, it can be concluded that the p lanarity and conjugation betw een the te trazole ring and benzene ring have an effect on the m ax im um absorption peak; the fluorescence response increases w ith the fo rm ation o f intram o lecular hydrog en bonds, and the fluo rescence em iss ion peaks are g rea tly influenced by the planar ity and con jugation betw een two benzene rings. Irbe sartan and va lsartan have high fluorescence quantum y ie lds and can be used as fluorescence probe to study the interaction m echan ism w ith b io log ica lm acrom o lecules such as DNA, pro te in etc.

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相似文献/References:

[1]邵景玲,史荣卫,朱小蕾,等.CnN4(n=2～10)团簇的结构和性质的密度泛函理论研究[J].南京师大学报(自然科学版),2008,31(03):81.
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备注/Memo

备注/Memo:
基金项目: 江苏省教育厅自然科学基金( 05KJB430058 )、中国药科大学青年教师科技基金( E0619 ) 和国家自然科学基金( 20471030,
30570323)资助项目.
作者简介: 荣玉芝( 1981- ) , 女, 硕士研究生, 研究方向: 物理化学. E-m ail: rongyu zhi@gm ail.com
通讯联系人: 赵  波( 1969- ) , 副教授, 研究方向: 物理化学. E-m a il: zhaob o@ n jnu. edu. com
更新日期/Last Update: 2013-05-05