DICP OpenIR
Infrared spectra of neutral dimethylamine clusters: An infrared-vacuum ultraviolet spectroscopic and anharmonic vibrational calculation study
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; Kuo, Jer-Lai4; Jiang, Ling2
Corresponding AuthorKuo, Jer-Lai(jlkuo@pub.iams.sinica.edu.tw)
Source PublicationJOURNAL OF CHEMICAL PHYSICS
2019-02-14
ISSN0021-9606
DOI10.1063/1.5086095
Volume150Issue:6Pages:9
Funding ProjectNational 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
Funding OrganizationNational 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
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordFERMI RESONANCE ; MOLECULAR-BEAM ; HYDROGEN-BOND ; SOLVATION ; FREQUENCIES ; COMPLEXES ; NETWORKS ; REGION ; WATER
AbstractInfrared-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.
Language英语
Funding OrganizationNational 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
WOS IDWOS:000458879800034
PublisherAMER INST PHYSICS
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166033
Collection中国科学院大连化学物理研究所
Corresponding AuthorKuo, Jer-Lai
Affiliation1.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
Recommended Citation
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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