Conformation of 1,2-dimethoxyethane in water
文献类型：期刊论文
| 作者 | Liu, Y; Yang, XZ; Dai, BQ; Su, ZM; Wang, Q |
| 刊名 | CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
 |
| 出版日期 | 2001-08-01 |
| 卷号 | 17期号:3页码:315-317 |
| 关键词 | Conformation Ab Initio Molecular Orbital Calculation 1 2-dimethoxyethane |
| ISSN号 | 1005-9040 |
| 英文摘要 | To understand the conformation of 1,2-dimethoxyethane (DME) in water, a system of two kinds of molecules, DME and H2O, was focused. The interaction of various conformers of DME with water was studied by means of ab initio molecular orbital calculation with 6-31G(d) basis set. It is shown that there are two forms of interactions between the two molecules in the system, the close touched (H2O attaches to the two oxygen atoms of DME) and the open touched (H2O attaches to one oxygen atom of DME) structures. The conformation of DME is remarkably influenced by the interactions. Instead the ttt conformer is preferred in the gas state, with a close touched H2O the tgt conformer becomes the most stable one. The obtained hydration energies show that the stabilized order of DME conformers by water is tgt>tgg'>ttt. |
| 语种 | 英语 |
| WOS记录号 | WOS:000170922200015 |
| 出版者 | HIGHER EDUCATION PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/77821]  |
| 专题 | 中国科学院化学研究所 |
| 作者单位 | 1.Harbin Inst Technol, Inst Optoelect, Harbin 150001, Peoples R China 2.Acad Sinica, Inst Chem, Polymer Phys Lab, Beijing 100080, Peoples R China 3.Harbin Normal Univ, Dept Chem, Harbin 150080, Peoples R China 4.NE Normal Univ, Dept Chem, Changchun 130024, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Y,Yang, XZ,Dai, BQ,et al. Conformation of 1,2-dimethoxyethane in water[J]. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,2001,17(3):315-317. |
| APA | Liu, Y,Yang, XZ,Dai, BQ,Su, ZM,&Wang, Q.(2001).Conformation of 1,2-dimethoxyethane in water.CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,17(3),315-317. |
| MLA | Liu, Y,et al."Conformation of 1,2-dimethoxyethane in water".CHEMICAL RESEARCH IN CHINESE UNIVERSITIES 17.3(2001):315-317. |
入库方式： OAI收割
来源：化学研究所
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