Theoretical study of substitution effect in superalkali OM3 (M = Li, Na, K)
文献类型：期刊论文
| 作者 | Tong J ; Li Y ; Wu D ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2013 |
| 卷号 | 575页码:27-31 |
| 关键词 | ELECTRON PROPAGATOR CALCULATIONS IONIZATION MASS-SPECTROMETRY DOPED LITHIUM CLUSTERS SEMIDIRECT ALGORITHMS SUPERATOM COMPOUNDS ENERGIES MOLECULES CATIONS NA3NO3 MOTIFS |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu d |
| 中文摘要 | a class of superalkalies om3 (m = li, na, k) and their corresponding cations om3+ were theoretically investigated. the om3 molecules possess very low adiabatic ionization potentials (aips) of 2.842-3.558 ev at the ccsd(t)/6-311+g(3df) level. it was found that the ionization potentials of om3 depend on the nature of the peripheral ligand atom and can be efficiently decreased upon replacing the m atom with the more electropositive one. such superalkalies characterized by lower ionization potentials add candidates to the research on superatoms and can be used in the synthesis of new nontraditional salts where strong reducers are involved. (c) 2013 elsevier b. v. all rights reserved. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| WOS记录号 | WOS:000320720500005 |
| 公开日期 | 2014-04-15 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/49786]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Tong J,Li Y,Wu D,et al. Theoretical study of substitution effect in superalkali OM3 (M = Li, Na, K)[J]. chemical physics letters,2013,575:27-31. |
| APA | Tong J,Li Y,Wu D,&Wu ZJ.(2013).Theoretical study of substitution effect in superalkali OM3 (M = Li, Na, K).chemical physics letters,575,27-31. |
| MLA | Tong J,et al."Theoretical study of substitution effect in superalkali OM3 (M = Li, Na, K)".chemical physics letters 575(2013):27-31. |
入库方式： OAI收割
来源：长春应用化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。