| 摘要: |
| N-(4,6-二甲氧嘧啶-2-基)-N′-β-吡啶甲酰基硫脲（N-(4,6-dimethoxypyrimidin-2-y1)-N′-nicotinoylthioure,简称DMPNT）是一种新合成的功能性分子,被证明有良好的生物活性,也有望成为草坪地专用除草剂.目前对于DMPNT的分子光谱学研究尚未有报道.采用BLYP/6-311G算法对DMPNT分子进行结构优化及其振动进行了理论归属,利用表面增强拉曼光谱及原位拉曼光谱电化学考察了DMPNT自组装单层在银电极表面自组装行为.实验结果表明:DMPNT以巯基为吸附位点作用于银,吡啶环靠近电极表面.随电位负移,DMPNT分子在电极表面吸附构型发生变化：吡啶环翻转,氨基和甲氧基靠近表面,随着电位负移到-1.2 V,电极表面分子最终脱附. |
| 关键词: 表面增强拉曼散射 银电极 原位光谱电化学 N-(4,6-二甲氧嘧啶-2-基)-N-β-吡啶甲酰基硫脲 |
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| 基金项目:国家自然科学面上基金项目(21073121)；大学生创新创业活动计划(B-7062-12-001113) |
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| In-situ SERS spectroscopic electrochemistry of N-(4,6-dimethoxypyrimidin-2-y1)-N′-nicotinoylthioureon the silver electrode |
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JIN Qiao, SHEN Shu, CHEN Yingping, ZHU Chengdi, FEI Tingting, JI Jiahua, YANG Haifeng
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College of Life and Environmental Sciences,Shanghai Normal University
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| Abstract: |
| Surface Enhanced Raman Scattering (SERS) is a surface analysis technique with high sensitivity,which is widely applied in the study of the behavior of interface adsorption,molecular interface orientation,and the change of the adsorption.Self-assembled monolayers (SAMs) technique is regarded as a reasonable method to controllably construct an orderly uniform layers that can provide a simple interfacial model for surface analysis.N-(4,6-di-methoxypyrimidin-2-y1)-N′-nicotinoylthioure(DMPNT)is a newly synthesized functional molecule,which will hopefully become the special herbicide for the lawns.However,no spectroscopic characteristic of this molecule has been reported.In this work,the adsorption and desorption behavior of DMPNT monolayer on an Ag electrode was observed by in-situ SERS.The experimental results showed that DMPNT was self-assembled on Ag surface through thiol group with its pyridine ring close to the surface.The adsorption behavior of DMPNT changed along with the negative-shifting of the potential:the pyridine ring turned over,and the amido and the methoxy group became closer to the surface.When the potential negatively shifted to -1.2 V vs.SCE,the DMPNT completely detached from the surface. |
| Key words: SERS silver electrode in-situ spectroscopic electrochemistry N-(4,6-di-methoxypyrimidin-2-yl)- N′- nicotinoylthioure |
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