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题名: Proton transfer reactions within the pyridazine-methanol cluster ion
作者: Zhang, BL;  Cai, Y;  Mu, XL;  Lou, NQ;  Wang, XY
刊名: CHEMICAL PHYSICS LETTERS
发表日期: 2002-01-10
卷: 351, 期:3-4, 页:335-340
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The multiphoton ionization of the hydrogen-bonding cluster pyridazine-methanol (C4H4N2-CH3OH) was studied using a time-of-flight mass spectrometer at the wavelengths of 355 and 532 nm. At both wavelengths, a series of protonated C4H4N2-(CH3OH)(n)-H+ cluster ions were obtained. Relevant ab initio calculations were performed with HF and B3LYP methods. Equilibrium geometries of both neutral and ionic C4H4N2-CH3OH clusters, and dissociation channels and dissociation energies of ionic clusters, are presented. The results show that when C4H4N2-CH3OH is vertically ionized, C4H4N2H+ and CH3O are the dominant products via proton transfer reaction. A high energy barrier makes another channel corresponding to the production of C4H4N2H+ and CH2OH disfavored. (C) 2002 Elsevier Science B.V. All rights reserved.
关键词[WOS]: IONIZATION
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000173330600025
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/83897
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Acad Sinica, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Zhang, BL,Cai, Y,Mu, XL,et al. Proton transfer reactions within the pyridazine-methanol cluster ion[J]. CHEMICAL PHYSICS LETTERS,2002,351(3-4):335-340.
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