异戊二烯及其光氧化产物的傅里叶变换红外光谱研究
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国家自然科学基金项目(面上项目,重点项目,重大项目),中国科学院重大资助项目


FTIR Spectra of Isoprene and Its Photooxidation Products
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    摘要:

    利用傅里叶变换红外吸收光谱,测量得到了异戊二烯单体分子的光谱信息,采用Gaussion 03 程序通过密度泛函方法计算得到异戊二烯的红外光谱,理论结果与实验结果符合的较好。利用自制的烟雾腔模拟研究·OH自由基启动的异戊二烯光氧化过程,使用傅里叶变换红外光谱仪,测定光氧化产物的分子官能团,定性分析产物组分。结果表明产物中含有羰基化合物、C-O键化合物、醛、酮、羧酸及硝酸类有机化合物。

    Abstract:

    FTIR spectra were used to measure the spectra information of isoprene. The infrared spectra were calculated by using Gaussian 03 program under density functional (DFT) theory level. The experimental results agree with the theoretical values. The OH-iniated photooxidation of isoprene was conducted by using a smog chamber system made by ourselves. The photooxidation products were detected using FTIR method to study the functional groups and qualitatively analyze the chemical components.The results shown that the photooxidation products contained carbonyl group, C-O bond compounds, aldehyde, ketone, carboxyl acid, and nitric acid compounds.

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刘宪云,张为俊,黄明强,王振亚.异戊二烯及其光氧化产物的傅里叶变换红外光谱研究[J].红外与毫米波学报,2010,29(2):114~116]. LIU Xian-Yun, ZHANG Wei-Jun, HUANG Ming-Qiang, WANG Zhen-Ya. FTIR Spectra of Isoprene and Its Photooxidation Products[J]. J. Infrared Millim. Waves,2010,29(2):114~116.]

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  • 收稿日期:2010-05-20
  • 最后修改日期:2010-05-20
  • 录用日期:2010-05-20
  • 在线发布日期: 2010-05-20
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