| LaCO几何、电子结构和化学键的研究 |
| STUDY ON THE GEOMETRY,ELECTRONIC STRUTURE AND BOND OF LaCO |
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| 摘要: |
| 关键词: LaCO 几何 电子结构 化学键 |
| 基金项目: 国家自然科学基金;国家科委攀登计划项目 |
| Abstract: The geometry,electronic stucture and bond of LaCO,one of the rare earth carbonyl compounds,havebeen studied with SCM-DV-Xα method.From the resultsitiscertified thatthe LaCO isalinearmolecule,in which thebond length of La-C and C-O are 0.2273 nm and 0.1179 nm respectively,the σ coordinatebond and the π-back bond are formed between La and CO. Itis also showed thatthe La-C bond hasaboutmorethan90 % covalentcharacter and the4 f orbitals play a certain role in the bonding of LaCO. |
| Keywords: LaCO geometry electronic structure bond |
| 投稿时间：1995-05-08 |
| 摘要点击次数: 1541 |
| 全文下载次数: 1710 |
| 林宪杰,洪功义,黎乐民.LaCO几何、电子结构和化学键的研究[J].无机化学学报,1996,12(2):197-199. |
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