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HFCAS OpenIR  > 中科院安徽光学精密机械研究所
Structure, temperature effect and bonding order analysis of hydrated bromide clusters
Wen, Hui1; Huang, Teng1; Liu, Yi-Rong1; Jiang, Shuai1; Peng, Xiu-Qiu1; Miao, Shou-Kui1; Wang, Chun-Yu1; Hong, Yu1; Huang, Wei1,2,3
2016-11-10
发表期刊CHEMICAL PHYSICS
摘要Halide ions have been received intense interest in charactering and understanding their implications in atmospheric chemistry since they are related to the ozone destruction in the stratosphere. In the current study, structures, thermodynamic properties, and spectroscopic signatures of hydrated bromide Br-(H2O)(n) (n = 1-8) clusters are thoroughly studied and compared with available studies, the new global minima were observed for the larger size Br-(H2O)(7,8) clusters. The numbers of isomer increase with the increasing water molecules, considering the growing complexity, the isomer populations of each size clusters are provided under a wide temperature range, it was shown that different type of structures possess different temperature dependences. In addition, the bond order of different bond types of hydrated bromide has been systematically investigated for the first time. (C) 2016 Elsevier B.V. All rights reserved.
文章类型Article
关键词Hydrated Halide Bond Order Temperature Effect Basin-hopping
WOS标题词Science & Technology ; Physical Sciences
DOI10.1016/j.chemphys.2016.09.039
关键词[WOS]IONIC HYDROGEN-BOND ; WATER CLUSTERS ; AB-INITIO ; VIBRATIONAL SPECTROSCOPY ; CHARGE-TRANSFER ; I CLUSTERS ; GAS-PHASE ; PHOTOELECTRON-SPECTROSCOPY ; PREDISSOCIATION SPECTRA ; ARGON PREDISSOCIATION
收录类别SCI
语种英语
项目资助者National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; National Natural Science Foundation of China (NSFC) - China(21403244 ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; State Key Program of National Natural Science of China(21133008) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; National High Technology Research and Development Program of China (863 Program)(2014AA06A501) ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; "Interdisciplinary and Cooperative Team" of CAS ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory (PNNL) ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 21573241 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41505114 ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808) ; 41527808)
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000388248000016
引用统计
被引频次：5[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.hfcas.ac.cn:8080/handle/334002/21600
专题中科院安徽光学精密机械研究所
作者单位1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Lab Atmospher Phys Chem, Hefei 230031, Anhui, Peoples R China
2.Univ Sci & Technol China, Sch Environm Sci & Optoelect Technol, Hefei 230026, Anhui, Peoples R China
3.Chinese Acad Sci, Inst Urban Environm, Ctr Excellence Urban Atmospher Environm, Xiamen 361021, Fujian, Peoples R China
第一作者单位中科院安徽光学精密机械研究所
推荐引用方式
GB/T 7714		 Wen, Hui,Huang, Teng,Liu, Yi-Rong,et al. Structure, temperature effect and bonding order analysis of hydrated bromide clusters[J]. CHEMICAL PHYSICS,2016,479(无):129-142.
APA Wen, Hui.,Huang, Teng.,Liu, Yi-Rong.,Jiang, Shuai.,Peng, Xiu-Qiu.,...&Huang, Wei.(2016).Structure, temperature effect and bonding order analysis of hydrated bromide clusters.CHEMICAL PHYSICS,479(无),129-142.
MLA Wen, Hui,et al."Structure, temperature effect and bonding order analysis of hydrated bromide clusters".CHEMICAL PHYSICS 479.无(2016):129-142.
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