| Ca+-dipropylamine复合物的光解研究 |
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| 引用本文： | 陈西亚,金兵,程元,王东升,杨世和.Ca+-dipropylamine复合物的光解研究[J].化学物理学报,2016,29(5):539-544. |
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| 作者姓名： | 陈西亚 金兵 程元 王东升 杨世和 |
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| 作者单位： | 华中科技大学电气与电子工程学院, 武汉 430074;中国科学院武汉物理与数学研究所, 波谱与原子分子物理国家重点实验室, 武汉 430071,中国科学院武汉物理与数学研究所, 波谱与原子分子物理国家重点实验室, 武汉 430071;中国科学院大连化学物理研究所, 分子反应动力学国家重点实验室, 大连 116032,中国科学院武汉物理与数学研究所, 波谱与原子分子物理国家重点实验室, 武汉 430071;中国科学院大连化学物理研究所, 分子反应动力学国家重点实验室, 大连 116032,中国科学院沈阳分院, 沈阳 110004,香港科技大学化学系, 香港 |
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| 摘 要： | 研究了气相Ca+-dipropylamine复合物在400~690 nm波长范围内的光解过程。在研究的光谱范围内，蒸发解离得到非反应性产物Ca是最主要的通道。在450~528 nm范围内，反应性产物Ca+-NHC3H7也被探测到。这一反应性通道被认为是Ca+对二丙胺分子中的C-N键的插入活化作用引起的，量化计算与实验现象一致.
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| 关 键 词： | 光解 Ca+ 二丙胺 B2-PLYP TD-DFT |
| 收稿时间： | 7/4/2016 12:00:00 AM |
| 修稿时间： | 2016/8/11 0:00:00 |
Photodissociation Study of Ca+-Dipropylamine Complex |
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| Xi-ya Chen,Bing Jin,Yuan Cheng,Dong-sheng Wang and Shi-he Yang.Photodissociation Study of Ca+-Dipropylamine Complex[J].Chinese Journal of Chemical Physics,2016,29(5):539-544. |
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| Authors: | Xi-ya Chen Bing Jin Yuan Cheng Dong-sheng Wang and Shi-he Yang |
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| Institution: | School of Electrical and Electronic Engineering, Huazhong University of Science and Technology, Wuhan 430074, China;State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China,State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China,State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China;State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China,Shenyang Branch, Chinese Academy of Sciences, Shenyang 110004, China and Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, China |
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| Abstract: | Gas-phase Ca+-dipropylamine complex has been subjected to photodissociation (400-690 nm). One reactive product, Ca+-NHC3H7, is detected only in the region of 450-528 nm, besides the evaporation fragment of Ca+, which is dominant throughout the whole spectral region we have studied. The photoreaction channel may be explained in terms of a metal insertion mechanism. The calculated results are in good agreement with the experimental observations. |
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| Keywords: | Photodissociation Ca+ Dipropylamine B2-PLYP TD-DFT |
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