Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer
文献类型：期刊论文
| 作者 | Kong, Xiangtao2,4; Jiang, Shukang2,4,5,6; Zhao, Zhi2; Dai, Dongxu2; Zhang, Bingbing2,3,4; Yang, Dong2,4; Xie, Hua2; Hao, Ce3; Liu, Zhi-Feng1,7,8; Yang, Xueming2 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2017-09-28 |
| 卷号 | 121期号:38页码:7176-7182 |
| 英文摘要 | The methylamine dimer, (CH3NH2)(2), is a model system to study the CH3 and NH2 spectral patterns in the neutral microsolvated systems relevant to chemical biology, atmospheric chemistry, and catalysis. We report infrared-vacuum ultraviolet spectroscopic measurements to probe the neutral (CH3NH2)(2). Quantum chemical calculations and ab initio molecular dynamics simulations were performed to understand the observed spectral features. Experimental and theoretical results indicate the likely coexistence of both cis and trans structures. A salient feature of this work is that the peak widths are not significantly affected by the structural transformation and the fluctuation of hydrogen bond distance, allowing the stretching modes to be clearly resolved. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | AB-INITIO ; VIBRATIONAL SPECTROSCOPY ; GAS-PHASE ; FORCE-FIELD ; CLUSTERS ; CHEMISTRY ; DYNAMICS ; PHOTODISSOCIATION ; TRIMETHYLAMINE ; INTERMEDIATE |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000412149600013 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/150046]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 1.Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Collaborat Innovat Ctr Chem Energy & Mat IChEM, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China 3.Dalian Univ Technol, State Key Lab Fine Chem, 2 Linggong Rd, Dalian 116024, Peoples R China 4.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 5.Chinese Acad Sci, Shanghai Adv Res Inst, 99 Haike Rd, Shanghai 201210, Peoples R China 6.ShanghaiTech Univ, Sch Phys Sci & Technol, 319 Yueyang Rd, Shanghai 200031, Peoples R China 7.Chinese Univ Hong Kong, Shenzhen Res Inst, 10,Second Yuexing Rd, Shenzhen, Peoples R China 8.Chinese Univ Hong Kong, Ctr Sci Modeling & Computat, Shatin, Hong Kong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Kong, Xiangtao,Jiang, Shukang,Zhao, Zhi,et al. Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2017,121(38):7176-7182. |
| APA | Kong, Xiangtao.,Jiang, Shukang.,Zhao, Zhi.,Dai, Dongxu.,Zhang, Bingbing.,...&Jiang, Ling.(2017).Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer.JOURNAL OF PHYSICAL CHEMISTRY A,121(38),7176-7182. |
| MLA | Kong, Xiangtao,et al."Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer".JOURNAL OF PHYSICAL CHEMISTRY A 121.38(2017):7176-7182. |
入库方式： OAI收割
来源：大连化学物理研究所
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