Chemical bonding and electronic structure of 4d-metal monocarbides
文献类型：期刊论文
| 作者 | Wang JP ; Sun XB ; Wu ZJ |
| 刊名 | chemical physics letters
 |
| 出版日期 | 2006 |
| 卷号 | 426期号:1-3页码:141-147 |
| 关键词 | ANION PHOTOELECTRON-SPECTROSCOPY 2-PHOTON IONIZATION SPECTROSCOPY POTENTIAL-ENERGY CURVES RUTHENIUM MONOCARBIDE OPTICAL SPECTROSCOPY DIPOLE MOMENTS RUC MOLECULE STATES DENSITY MOC |
| ISSN号 | 0009-2614 |
| 通讯作者 | wu zj |
| 中文摘要 | bond distances, vibrational frequencies, dissociation energies, electron affinities, ionization potentials and dipole moments of the title molecules in neutral and charged ions were studied by use of density functional method. ground states for each molecule were assigned. for neutral and cationic molecules, the bond distance decreases from yc (yc+) to rhc (rhc+), then increases, while for anionic molecules, the bond distance decreases from yc- to ruc-, then increases. opposite trend was observed for vibrational frequency. the bond ionic character decreases from zrc to pdc for neutral molecules. the bonding patterns are discussed and compared with the available studies. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000239272400029 |
| 公开日期 | 2010-08-17 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/16313]  |
| 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 | Wang JP,Sun XB,Wu ZJ. Chemical bonding and electronic structure of 4d-metal monocarbides[J]. chemical physics letters,2006,426(1-3):141-147. |
| APA | Wang JP,Sun XB,&Wu ZJ.(2006).Chemical bonding and electronic structure of 4d-metal monocarbides.chemical physics letters,426(1-3),141-147. |
| MLA | Wang JP,et al."Chemical bonding and electronic structure of 4d-metal monocarbides".chemical physics letters 426.1-3(2006):141-147. |
入库方式： OAI收割
来源：长春应用化学研究所
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