收稿日期: 2009-05-06
修回日期: 2009-05-18
网络出版日期: 2009-11-15
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
Received date: 2009-05-06
Revised date: 2009-05-18
Online published: 2009-11-15
Supported by
supported by National Natural Science Foundation of China (10875126, 10675112), and SRF for ROCS, SEM corresponding authors
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.
杜琦 , 单晓斌 , 刘付轶 , 韩聚广 , 盛六四 . 丙烯酸甲酯的真空紫外光电离质谱研究[J]. 中国科学院大学学报, 2009 , 26(6) : 749 -758 . DOI: 10.7523/j.issn.2095-6134.2009.6.004
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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