| 碱金属-汞和碱金属-铅原子簇的成键本质; Bonding of Alkali-mercury and Alkali-lead Clusters | |
| 廖孟生 | |
| 1996 | |
| 关键词 | 碱－汞化合物 碱－铅化合物 成键本质 Alkali-mercury compounds Alkali-lead compounds Nature of bonding |
| 英文摘要 | Relativistic density-Functional calculations on Free Hg2, Hg4, Hg8, Pb2 and Pb4 clusters, and those clusters embedded in an alkali (A) atom surrounding are reported.Heavy metal-metal (M-M) distances, binding energies and eFFective charges have been cal culated.The Hg-Hg distance in the weakly bound Free clusters is over 330 pm.Upon embedding in an alkali surrounding, the bonding is strengthened; the bond lengths are re duced For square planar Hg4 to below 300 pm.The bonding in the hypothetical tetrahedral alkali-mercury cluster appear to be quite diFFerent, where Hg4 win undergo a transition to Four Hg1.This explains the strict preFerence of square over the tetrahedral geomety of Hg4 clusters in arnalgams.Pb4 is predicted to be stable in a pure cluster and does not show signiFicanly diFFerent bonding Feature in the lead-alkali crystal.The eFFective charges on Hg and Pb are calculated to be -0.4 and -0.6, respectively.The bonding characteristics are also examined by calculation of the M4-An interaction energies.The amalgamation energies lie in the range of 50 to 70 kJ/molHg.The Formation energy of alkall-Pb is up to 150 kJ/molPb, much stronger than that of alkali-Hg. |
| 语种 | zh_CN |
| 内容类型 | 期刊论文 |
| 源URL | [http://dspace.xmu.edu.cn/handle/2288/106773]  |
| 专题 | 化学化工－已发表论文 |
| 推荐引用方式 GB/T 7714 | 廖孟生. 碱金属-汞和碱金属-铅原子簇的成键本质, Bonding of Alkali-mercury and Alkali-lead Clusters[J],1996. |
| APA | 廖孟生.(1996).碱金属-汞和碱金属-铅原子簇的成键本质.. |
| MLA | 廖孟生."碱金属-汞和碱金属-铅原子簇的成键本质".(1996). |
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