Limitations of the polyhedral skeletal electron pair theory in organometallic cluster chemistry: examples in tri- and tetrametallic systems
作者： Jean-Frangois Halet
DOI: 10.1016/0010-8545(95)08002-M
关键词: Isolobal principle 、 Heteronuclear molecule 、 Cluster chemistry 、 Chemistry 、 Computational chemistry 、 Electron 、 Group 2 organometallic chemistry 、 Molecular orbital 、 Polyhedral skeletal electron pair theory
摘要: Abstract The Polyhedral Skeletal Electron Pair Theory (PSEP) which correlates the structural arrangement of clusters to their electron count does much for rationalizing structures a wide range organometallic clusters. However, these rules based on isolobal analogy principle apply less successfully complicated compounds containing heteronuclear core. Different tri- and tetranuclear serve illustrate some limitations PSEP theory account skeletal isomerism, isomer interconversion or unexpected geometries. Molecular orbital calculations are used help sometimes circumvent limitations.
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