Early Stage Solvation of Protonated Methanol by Carbon Dioxide
文献类型：期刊论文
| 作者 | Zhao, Zhi1,2; Kong, Xiang-tao2; Lei, Xin2; Zhang, Bing-bing2,3; Zhao, Ji-jun1; Jiang, Ling2 |
| 刊名 | chinese journal of chemical physics
 |
| 出版日期 | 2015-08-01 |
| 卷号 | 28期号:4页码:501-508 |
| 关键词 | Methanol Carbon dioxide Solvation Infrared photodissociation spectroscopy Quantum chemical calculation |
| 通讯作者 | 江凌 |
| 英文摘要 | the solvation of protonated methanol by carbon dioxide has been studied via a cluster model. quantum chemical calculations of the h+ (ch3oh)(co2)(n) (n=1-7) clusters indicate that the first solvation shell of the oh groups is completed at n=3 or 4. besides hydrogenbond interaction, the c-co2 center dot center dot center dot c-co2 intermolecular interaction is also responsible for the stabilization of the larger clusters. the transfer of the proton from methanol onto co2 with the formation of the ocoh+ moiety might be unfavorable in the early stage of solvation process. simulated ir spectra reveal that vibrational frequencies of free o-h stretching, hydrogen-bonded o-h stretching, and o-c-o stretching of co2 unit afford the sensitive probe for exploring the solvation of protonated methanol by carbon dioxide. ir spectra for the h+ (ch3oh)(co2)(n) (n=1-7) clusters could be readily measured by the infrared photodissociation technique and thus provide useful information for the understanding of solvation processes. |
| 学科主题 | 物理化学 |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | infrared photodissociation spectroscopy ; cluster anions ; ions ; complexes |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000361418000020 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/143720]  |
| 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 |
| 作者单位 | 1.Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, Collaborat Innovat Ctr Chem Energy & Mat, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116024, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, Zhi,Kong, Xiang-tao,Lei, Xin,et al. Early Stage Solvation of Protonated Methanol by Carbon Dioxide[J]. chinese journal of chemical physics,2015,28(4):501-508. |
| APA | Zhao, Zhi,Kong, Xiang-tao,Lei, Xin,Zhang, Bing-bing,Zhao, Ji-jun,&Jiang, Ling.(2015).Early Stage Solvation of Protonated Methanol by Carbon Dioxide.chinese journal of chemical physics,28(4),501-508. |
| MLA | Zhao, Zhi,et al."Early Stage Solvation of Protonated Methanol by Carbon Dioxide".chinese journal of chemical physics 28.4(2015):501-508. |
入库方式： OAI收割
来源：大连化学物理研究所
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