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Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study

文献类型：期刊论文

作者Hsu, Po-Jen4; Zhang, Bingbing1,2,3; Huang, Qian-Rui4; Jiang, Shukang2,3,5,6; Chen, Li-Wei4; Wang, Chong2,3; Hao, Ce1; Kong, Xiangtao2; Dai, Dongxu2; Yang, Xueming2
刊名JOURNAL OF CHEMICAL PHYSICS
出版日期2019-02-14
卷号150期号:6页码:9
ISSN号0021-9606
DOI10.1063/1.5086095
通讯作者Kuo, Jer-Lai(jlkuo@pub.iams.sinica.edu.tw)
英文摘要Infrared-vacuum ultraviolet (IR-VUV) spectra of neutral dimethylamine clusters, (DMA)(n) (n = 2-5), were measured in the spectral range of 2600-3700 cm(-1). The experimental IR-VUV spectra show NH stretch modes gradually redshift to 3200-3250 cm(-1) with the increase in the cluster size and complex Fermi Resonance (FR) pattern of the CH3 group in the 2800-3000 cm(-1) region. Ab initio anharmonic vibrational calculations were performed on low-energy conformers of (DMA)(2) and (DMA)(3) to examine vibrational coupling among CH/NH and to understand the Fermi resonance pattern in the observed spectra features. We found that the redshift of NH stretching mode with the size of DMA cluster is moderate, and the overtone of NH bending modes is expected to overlap in frequency with the CH stretching fundamental modes. The FR in CH3 groups is originated from the strong coupling between CH stretching fundamental and bending overtone within a CH3 group. Well-resolved experimental spectra also enable us to compare the performance of ab initio anharmonic algorithms at different levels.
WOS关键词FERMI RESONANCE ; MOLECULAR-BEAM ; HYDROGEN-BOND ; SOLVATION ; FREQUENCIES ; COMPLEXES ; NETWORKS ; REGION ; WATER
资助项目National Natural Science Foundation of China[21673231] ; National Natural Science Foundation of China[21327901] ; National Natural Science Foundation of China[21688102] ; Dalian Institute of Chemical Physics[DICP DCLS201702] ; Strategic Priority Research Program of the Chinese Academy of Science[XDB17000000] ; Ministry of Science and Technology of Taiwan[MOST-106-2811-M-001-051] ; Ministry of Science and Technology of Taiwan[MOST-107-2628-M-001-002-MY4] ; Academia Sinica
WOS研究方向Chemistry ; Physics
语种英语
出版者AMER INST PHYSICS
WOS记录号WOS:000458879800034
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Science ; Strategic Priority Research Program of the Chinese Academy of Science ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Academia Sinica ; Academia Sinica ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Science ; Strategic Priority Research Program of the Chinese Academy of Science ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Academia Sinica ; Academia Sinica ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Science ; Strategic Priority Research Program of the Chinese Academy of Science ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Academia Sinica ; Academia Sinica ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Science ; Strategic Priority Research Program of the Chinese Academy of Science ; Ministry of Science and Technology of Taiwan ; Ministry of Science and Technology of Taiwan ; Academia Sinica ; Academia Sinica
源URL[http://cas-ir.dicp.ac.cn/handle/321008/166032]  
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
通讯作者Kuo, Jer-Lai
作者单位1.Dalian Univ Technol, State Key Lab Fine Chem, 2 Linggong Rd, Dalian 116024, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China
3.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
4.Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan
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
推荐引用方式
GB/T 7714		 Hsu, Po-Jen,Zhang, Bingbing,Huang, Qian-Rui,et al. Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study[J]. JOURNAL OF CHEMICAL PHYSICS,2019,150(6):9.
APA Hsu, Po-Jen.,Zhang, Bingbing.,Huang, Qian-Rui.,Jiang, Shukang.,Chen, Li-Wei.,...&Jiang, Ling.(2019).Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study.JOURNAL OF CHEMICAL PHYSICS,150(6),9.
MLA Hsu, Po-Jen,et al."Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study".JOURNAL OF CHEMICAL PHYSICS 150.6(2019):9.

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