| HC2nO+ (n=3-6) 正离子的红外光解离光谱以及理论计算研究 |
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| 引用本文： | 李 巍,金佳晔,渠 汇,王冠军,周鸣飞.HC2nO+ (n=3-6) 正离子的红外光解离光谱以及理论计算研究[J].化学物理学报,2019,32(1):77-83. |
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| 作者姓名： | 李 巍 金佳晔 渠 汇 王冠军 周鸣飞 |
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| 作者单位： | 复旦大学化学系，上海市分子催化和功能材料重点实验室，能源材料化学协同创新中心，上海 200433,复旦大学化学系，上海市分子催化和功能材料重点实验室，能源材料化学协同创新中心，上海 200433,复旦大学化学系，上海市分子催化和功能材料重点实验室，能源材料化学协同创新中心，上海 200433,复旦大学化学系，上海市分子催化和功能材料重点实验室，能源材料化学协同创新中心，上海 200433,复旦大学化学系，上海市分子催化和功能材料重点实验室，能源材料化学协同创新中心，上海 200433 |
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| 摘 要： | 本文利用脉冲激光溅射-超声分子束载带离子源在气相中产生了HC2nO+ (n=3-6)正离子. 通过对贴附CO的络合物离子的红外光解离光谱实验获得了HC2nO+正离子在1600∽3500 cm-1范围内的红外光谱. 通过比较实验光谱和理论模拟光谱确定了HC2nO+正离子具有端接氢和氧的直线型碳链衍生物结构，基态为三重态，单重态比三重基态能量高10∽15 kcal/mol. 成键分析表明HC2nO+中的碳链具有连烯的结构特征.
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| 关 键 词： | 碳链正离子，直线碳链衍生物，红外光谱，密度泛函计算，星际物质 |
| 收稿时间： | 2018/11/22 0:00:00 |
Infrared Photodissociation Spectroscopic and Theoretical Study of the HC2nO+ (n=3-6) Cations |
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| Wei Li,Jia-ye Jin,Hui Qu,Guan-jun Wang and Ming-fei Zhou.Infrared Photodissociation Spectroscopic and Theoretical Study of the HC2nO+ (n=3-6) Cations[J].Chinese Journal of Chemical Physics,2019,32(1):77-83. |
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| Authors: | Wei Li Jia-ye Jin Hui Qu Guan-jun Wang and Ming-fei Zhou |
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| Institution: | Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University, Shanghai 200433, China,Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University, Shanghai 200433, China,Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University, Shanghai 200433, China,Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University, Shanghai 200433, China and Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Collaborative Innovation Center of Chemistry for Energy Materials, Fudan University, Shanghai 200433, China |
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| Abstract: | |
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| Keywords: | Carbon chain cations Linear carbon chain derivatives Infrared spectroscopy Density functional theory Interstellar species |
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