CAJ | 학술논문

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(C_4H_6O_2~+),85(C_4H_5O_2~+),59(C_2H_3O_2~+),58(C_3H_6O~+),55(C_3H_3O~+),42(C_3H_6~+),31(CH_3O~+),27(C_2H_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.
이용동보복사광화반사비행시간질보,연구료병희산갑지9.0～15.5 eV능량범위적진공자외광전리화광해리.실험측량병희산갑지적광전리질보화해리쇄편리자m/e=86(C_4H_6O_2~+),85(C_4H_5O_2~+),59(C_2H_3O_2~+),58(C_3H_6O~+),55(C_3H_3O~+),42(C_3H_6~+),31(CH_3O~+),27(C_2H_3~+),화15(CH_3~+)적광전리효솔곡선.병이용양자화학종두산(G3),계산쇄편리자적능급,추측타문적해리통도.계산적전리능화출현세여실험결과부합흔호.결과표명,병희산갑지적광전리해리통도이단건단렬반응위주.
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 ( C_4 H_O_2~+ ), 85 ( C_4H_5O_2~+ ) , 59(C_2H_3O_2~+), 58(C_3H_6O~+), 55(C_3H_3O~+), 42(C_3H_6~+), 31(CH_3O~+), 27(C_2H_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.