General theoretical analysis of three-connected polyhedral molecules and their capped derivatives
1985; Elsevier BV; Volume: 280; Issue: 3 Linguagem: Inglês
10.1016/0022-328x(85)88117-1
ISSN1872-8561
AutoresRoy L. Johnston, D. Michael P. Mingos,
Tópico(s)Radiopharmaceutical Chemistry and Applications
ResumoStone's Tensor Surface Harmonic Theory has been successfully applied to three-connected polyhedral molecules of the Main Group and transition elements. The skeletal molecular orbitals consist of four (Sσ and Pσ) radial bonding molecular orbitals, (n - 4)/2 bonding Lπ (L > 1) surface molecular orbitals and (n - 2) Lπ and Lπ matching non-bonding molecular orbitais. These molecules have 3n/2 skeletal molecular orbitals and are characterised by a total of 5n valence electrons. The corresponding transition metal polyhedral molecules are characterised by 1571 electrons.
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