| 2-甲基-2-丙烯-1-醇的光电离解离研究 |
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| 引用本文： | 余业鹏,李照辉,林 烜,陈 军,张 航,李淹博,王欢欢,孙瑞瑞,孟庆慧,单晓斌,刘付轶,盛六四.2-甲基-2-丙烯-1-醇的光电离解离研究[J].化学物理学报,2019,32(3):306-312. |
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| 作者姓名： | 余业鹏 李照辉 林 烜 陈 军 张 航 李淹博 王欢欢 孙瑞瑞 孟庆慧 单晓斌 刘付轶 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，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029,中国科学技术大学国家同步辐射实验室，合肥 230029 |
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| 摘 要： | 利用可调谐真空紫外同步辐射和分子束实验装置在8.0～15.5 eV的光子能量范围内,研究2-甲基-2-内烯-1-醇的光电离解离.测出母体离子和碎片离子:C_4H_8O~+、C_4H_7O~+、C_3H_5O~+、C_4H_7~+、C_4H_6~+、C_4H_5~+、C_2H_4O~+、C_2H_3O~+、C_3H_6~+、C_3H_5~+、C_3H_3~+、CH_3O~+和CHO~+的光电离效率曲线,并获得母体分子的电离能和碎片离子的实验出现势.在B3LYP/6-31+G(d,p)理论水平上,计算光电离过程中母体分子、过渡态和中间体的稳定结构.采用CCSD(T)/cc-pVTZ耦合簇方法计算零点能,得到母体电离能和碎片离子的出现势.通过实验和理论研究,提出2-甲基-2-丙烯-1-醇的光解离路径,分子内氢转移是其中大部分解离途径中的主要过程.
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| 关 键 词： | 2-甲基-2-丙烯-1-醇，同步辐射，光电离，真空紫外线，质谱 |
| 收稿时间： | 2018/5/3 0:00:00 |
Photoionization and Dissociation Study of 2-Methyl-2-propen-1-ol: Experimental and Theoretical Insights |
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| Ye-peng Yu,Zhao-hui Li,Xuan Lin,Jun Chen,Hang Zhang,Yan-bo Li,Huang-huang Wang,Rui-rui Sun,Qing-hui Meng,Xiao-bin Shan,Fu-yi Liu and Liu-si Sheng.Photoionization and Dissociation Study of 2-Methyl-2-propen-1-ol: Experimental and Theoretical Insights[J].Chinese Journal of Chemical Physics,2019,32(3):306-312. |
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| Authors: | Ye-peng Yu Zhao-hui Li Xuan Lin Jun Chen Hang Zhang Yan-bo Li Huang-huang Wang Rui-rui Sun Qing-hui Meng Xiao-bin Shan Fu-yi Liu and Liu-si Sheng |
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| Institution: | National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China,National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China and National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230029, China |
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| Abstract: | |
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| Keywords: | 2-Methyl-2-propen-1-ol Synchrotron radiation Photoionization Vacuum ultraviolet Mass spectrometry |
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