【摘 要】
：
表面增强拉曼光谱(SERS)具有极高的检测灵敏度,通过检测吸附分子的SERS信号,可以获得表面吸附分子的结构以及可能发生的反应.在拉曼激发光源的辐射下,在碱性溶液中,银纳米粒
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表面增强拉曼光谱(SERS)具有极高的检测灵敏度,通过检测吸附分子的SERS信号,可以获得表面吸附分子的结构以及可能发生的反应.在拉曼激发光源的辐射下,在碱性溶液中,银纳米粒子表面吸附的对氯硝基苯(PCNB)的SERS光谱与其固体的常规拉曼光谱相比,出现异常SERS谱.通过采用密度泛函理论(DFT)计算,对PCNB以及可能的偶联产物p,p?-二氯偶氮苯(DCAB)进行理论分析以及谱峰归属,发现这些异常峰来自其偶联产物DCAB的偶氮C-N=N-C基团的基频振动.
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