敌百虫与敌敌畏的吸收光谱和发射光谱特征（英文）  

Absorption and Emission Spectroscopic Characters of Dipterex and Dichlorvos

作　　者：李丽清[1] 程学礼[1] 赵燕云[1] 

机构地区：[1]泰山学院化学化工学院,山东泰安271000

出　　处：《广州化工》2016年第10期52-56,共5页GuangZhou Chemical Industry

基　　金：国家自然科学基金资助项目(11174215和21203084);山东省自然科学基金联合专项(ZR2012BL03和ZR2012BL10);山东省高校科研发展计划项目(J13LD05)

摘　　要：用G09程序包研究了敌百虫和敌敌畏的吸收光谱及荧光/磷光光谱,并从分子轨道角度解释了吸收光谱特征。含时密度泛函结果揭示了:1水能够明显地增强敌百虫和敌敌畏的吸收和发射光谱;2由于缺乏nπ*或ππ*跃迁,无论在水中还是在气相中敌百虫的吸收和发射光谱都很弱,因此需要引入印迹分子以改变其光谱特征;3敌敌畏的S_0→S_3跃迁产生了在184.38 nm处的最强吸收峰,被指认为从HOMO到LUMO的ππ*跃迁。The absorption and fluorescence / phosphorescence spectra of dipterex and dichlorvos were explored with G09 program package,and the absorption characters were interpreted by molecular orbitals. The TD- DFT results revealed that water can observably strengthen the absorption and emission spectra of dipterex and dichlorvos. The absorption and emission spectra of dipterex in water and in gas phase were both very weak because there are no nπ＊orππ＊transitions, so imprinted molecules should be introduced to alter its spectroscopic characters. The S_0→ S_3 excitation caused the strongest absorption of dichlorvos at 184. 38 nm,which was assigned to the ππ＊transition from HOMO to LUMO.

关 键 词：敌百虫 敌敌畏 荧光 发射光谱 

分 类 号：O611.3[理学—无机化学] TP183[理学—化学]