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中国科学院大学学报 ›› 2009, Vol. 26 ›› Issue (6): 749-758.DOI: 10.7523/j.issn.2095-6134.2009.6.004

• 论文 • 上一篇    下一篇

丙烯酸甲酯的真空紫外光电离质谱研究

杜琦, 单晓斌, 刘付轶, 韩聚广, 盛六四   

  1. 中国科学技术大学国家同步辐射实验室和核科学技术学院,合肥 230029
  • 收稿日期:2009-05-06 修回日期:2009-05-18 发布日期:2009-11-15
  • 通讯作者: 刘付轶, 盛六四
  • 基金资助:

    supported by National Natural Science Foundation of China (10875126, 10675112), and SRF for ROCS, SEM corresponding authors

Vacuum ultraviolet photoionization mass spectrometric study of methyl acrylate

DU Qi, SHAN Xiao-Bin, LIU Fu-Yi, HAN Ju-Guang, SHENG Liu-Si   

  1. National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China
  • Received:2009-05-06 Revised:2009-05-18 Published:2009-11-15
  • Supported by:

    supported by National Natural Science Foundation of China (10875126, 10675112), and SRF for ROCS, SEM corresponding authors

摘要:

利用同步辐射光和反射飞行时间质谱,研究了丙烯酸甲酯9.0~15.5 eV能量范围的真空紫外光电离和光解离.实验测量丙烯酸甲酯的光电离质谱和解离碎片离子m/e=86(C4H6O+2), 85(C4H5O+2), 59(C2H3O+2), 58(C3H6O+), 55(C3H3O+), 42(C3H+6), 31(CH3O+), 27(C2H+3), 和15(CH+3)的光电离效率曲线.并利用量子化学从头算(G3),计算碎片离子的能级,推测它们的解离通道.计算的电离能和出现势与实验结果符合很好.结果表明,丙烯酸甲酯的光电离解离通道以单键断裂反应为主.

关键词: 丙烯酸甲酯, 真空紫外光电离, 同步辐射, 离解通道

Abstract:

The vacuum ultraviolet (VUV) photoionization and dissociative photoionization of methyl acrylate have been studied at the photon energy range of 9.0~15.5 eV by using synchrotron radiation and a reflection time-of-flight mass spectrometer (TOF-MS). The photoionization mass spectra and photoionization efficiency (PIE) curves for fragment ions m/e=86(C4H6O+2), 85(C4H5O+2), 59(C2H3O+2), 58(C3H6O+), 55(C3H3O+), 42(C3H+6), 31(CH3O+), 27(C2H+3), and 15(CH+3) from methyl acrylate have been measured. In addition, the energetics of the dissociative photoionization species have been calculated using ab initio Gaussian-3 (G3) programs. The calculated ionization energies (IEs) and appearance energies (AEs) are in good agreement with the experimental data. Moreover, the main dissociative photoionization channels, simple bond cleavage reactions, are proposed.

Key words: methyl acrylate, VUV photoionization, synchrotron radiation, dissociation channels

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