中性三甲胺双聚体的红外-真空紫外光谱研究

本文利用红外-真空紫外光谱实验方法和量子化学理论计算方法研究了中性三甲胺双聚体的红外光谱和结构．2975和2949cm-1这两个峰属于C—H非对称伸缩振动，2823cmq峰属于C—H对称伸缩振动．2739cm-1峰属于CH3弯曲振动的泛频峰，它在红外激光能量小于1mJ／mm2时不会被观测到．2773cm-1峰可能属于费米共振．实验和理论的研究结果表明，中性三甲胺双聚体存在多种同分异构体．中性三甲胺二聚体红外光谱的半峰宽没有受到结构变换的显著影响，使得伸缩振动模式得到很好的分辨．...

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Bibliographic Details
Published in化学物理学报 Vol. 30; no. 6; pp. 691 - 695
Main Author 张冰冰;孔祥涛;蒋述康;赵志;谢华;郝策;戴东旭;杨学明;江凌
Format Journal Article
LanguageChinese
Published 2017
Subjects
中性团簇;三甲胺;红外光谱;真空紫外;量子化学计算
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ISSN1674-0068
2327-2244

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Summary:本文利用红外-真空紫外光谱实验方法和量子化学理论计算方法研究了中性三甲胺双聚体的红外光谱和结构．2975和2949cm-1这两个峰属于C—H非对称伸缩振动，2823cmq峰属于C—H对称伸缩振动．2739cm-1峰属于CH3弯曲振动的泛频峰，它在红外激光能量小于1mJ／mm2时不会被观测到．2773cm-1峰可能属于费米共振．实验和理论的研究结果表明，中性三甲胺双聚体存在多种同分异构体．中性三甲胺二聚体红外光谱的半峰宽没有受到结构变换的显著影响，使得伸缩振动模式得到很好的分辨．
Bibliography:34-1295/O6
Bing-bing Zhang a,b,c, Xiang-tao Kong a,c, Shu-kang Jiang a,c,d,e ,Zhi Zhao a, Hua Xie a, Ce Hao b, Dong-xu Dai a, Xue-ming Yang a, Ling Jiang a （a. State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials （iChEM）, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China; b. State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian 116024, China; c. University of Chinese Academy of Sciences, Belying 100049, China ;d. Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China; e. School of Physical Science and Technology, ShanghaiTech University, Shanghai 200031, China）
Infrared-vacuum ultraviolet, Neutral cluster, Trimethylamine, Quantum chemical calculation
Infrared-vacuum ultraviolet （IR-VUV） spectra of neutral trimethylamine dimer were mea- sured in the 2500-3800 cm-1 region. Quantum chemical calculations were performed to identify the structure of th
ISSN:1674-0068
2327-2244