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 | Zhang, Bingbing1,2,3; Huang, Qian-Rui4; Jiang, Shukang2,3,5,6; Chen, Li-Wei4; Hsu, Po-Jen4; 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 |
DOI | 10.1063/1.5086095 |
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 |
WOS研究方向 | Chemistry ; Physics |
WOS类目 | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
语种 | 英语 |
出版者 | AMER INST PHYSICS |
WOS记录号 | WOS:000458879800034 |
URI标识 | http://www.irgrid.ac.cn/handle/1471x/2372785 |
专题 | 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 | Zhang, Bingbing,Huang, Qian-Rui,Jiang, Shukang,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 | Zhang, Bingbing.,Huang, Qian-Rui.,Jiang, Shukang.,Chen, Li-Wei.,Hsu, Po-Jen.,...&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 | Zhang, Bingbing,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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来源:大连化学物理研究所
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