| 丙烯酸甲酯的真空紫外光电离质谱研究 |
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| 作者姓名： | 杜琦 单晓斌 刘付轶 韩聚广 盛六四 |
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| 作者单位： | 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 |
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| 基金项目： | supported by National Natural Science Foundation of China (10875126, 10675112), and SRF for ROCS, SEM corresponding authors |
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| 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.
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| 关 键 词： | 丙烯酸甲酯 真空紫外光电离 同步辐射 离解通道 |
| 收稿时间： | 2009-05-06 |
| 修稿时间： | 2009-05-18 |
Vacuum ultraviolet photoionization mass spectrometric study of methyl acrylate |
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| Authors: | DU Qi SHAN Xiao-Bin LIU Fu-Yi HAN Ju-Guang SHENG Liu-Si |
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| Institution: | National Synchrotron Radiation Laboratory and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei 230029, China |
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| 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. |
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| Keywords: | methyl acrylate VUV photoionization synchrotron radiation dissociation channels |
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