Chemical Bonding and Electronic Structure of 4d-Metal Monosulfides
文献类型：期刊论文
| 作者 | Sun XB ; Wang JP ; Wu ZJ |
| 刊名 | journal of cluster science
 |
| 出版日期 | 2009 |
| 卷号 | 20期号:3页码:525-534 |
| 关键词 | TRANSITION-METAL SULFIDES FUNCTIONAL THEORY CALCULATIONS INFRARED-SPECTRA YTTRIUM MONOSULFIDE DIPOLE MOMENTS DENSITY ZRS THERMOCHEMISTRY SPECTROSCOPY |
| ISSN号 | 1040-7278 |
| 通讯作者 | wang jp |
| 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. the calculated bond distance decreases with the increasing of atomic number of 4d metals, reaches minimum at rhs, then increases. for cationic molecules, the calculated bond distance decreases to the minimum at mos+, then increases. the calculated vibrational frequency decreases from ys(ys+) to pds(pds+) for both neutral and cationic molecules. the bond ionic character decreases from ys(ys+) to pds(pds+) for neutral and cationic 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:000269151500005 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://202.98.16.49/handle/322003/11763]  |
| 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 | Sun XB,Wang JP,Wu ZJ. Chemical Bonding and Electronic Structure of 4d-Metal Monosulfides[J]. journal of cluster science,2009,20(3):525-534. |
| APA | Sun XB,Wang JP,&Wu ZJ.(2009).Chemical Bonding and Electronic Structure of 4d-Metal Monosulfides.journal of cluster science,20(3),525-534. |
| MLA | Sun XB,et al."Chemical Bonding and Electronic Structure of 4d-Metal Monosulfides".journal of cluster science 20.3(2009):525-534. |
入库方式： OAI收割
来源：长春应用化学研究所
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