表面增强拉曼光法检测双酚A的研究.pdfVIP

Gaussian 03计算了双酚A的结构和拉曼振动光谱，对各归属进行了详细指认。 2、采用柠檬酸盐还原法，制备了金纳米粒子作为表面拉曼光谱增强的基底。用透 米粒子的光谱学性质。通过对溶剂及体系酸碱度的选择，设计正交试验，寻求各反应液 的最佳配比，使双酚A得到最大增强。通过对增强拉曼、常规拉曼和理论拉曼进行比较， 探究双酚A的增强机理：在酸性条件下，纳米颗粒发生聚集，颗粒之间间隙变小，通过 物理电磁的增强提高了双酚A表面增强拉曼散射信号，同时双酚A分子中，与O相连 的H脱离，分子以=CO。吸附到金纳米颗粒上，使苯环以直立方式垂直于金颗粒表面， 苯环的骨架振动得到增强。 与HPLC．Uv方法比较，测定的结果基本一致，表明建立的方法可靠，具有应用价值。 关键词：双酚A；包装；密度泛函理论；表面增强拉曼光谱；纳米金． Abstract Abstract all crudematerialinchemical iSallessentiaI BisphenolA(BPA)iSimportant industry．It intermediatefor resin， producingpolycarbonate，epoxyresin，polysulfone，modifiedphenolic andother hasbeenidentifiedasa ofEndocrine polymers．However,BPA type Disrupting can andcause tohumanbodies Chemicals(ECD)thatpenetrate damages duringhandling．As a BPAbecomes concemand attentions． of a draws result，thesafety public increasing This studiedtheSurface—EnhancedRaman BPAand paper Spectroscopy(SERS)of anew methodforthis isthe of developeddetecting compound．Thefollowingpart summary this study． 1、Inordertoshowthestructureandraman of functional spectroscopyBPA，density were Gaussian03attheRB3LYPlevelandwiththe calculations theory performed、析th 6·311 alsoattributetodetailthe ofallvibrations． set，which G(d)basis assignment 2、The were asthesubstrateofSurface goldnanoparticlesprepared citratereductionmethod．Tra