MULTIPLE CENTER d-β ORBITALS AND CHARGE TRANSFER OF HETERONUCLEAR COUSTERS WITH CUBANE TYPE (Mo_3S_4

• 出 处: 结构化学
• 发表日期: 1993年05期
• 关键词: charges bonding bonds have orbital frontier satisfying satisfy bridging demonstr

In this work, with the analysis on MO and electronic structure for a series of heteronuclear cluster with cubane type (Mo4S1 )xMn1(x=1.2. M = Cu, W, Ni, Sb, Mo, Sn, Cu2) we found that it is with the multiple center d-pir orbitals that the ligand Mo3S44+ bonds to the M atom to form these class clusters. It is revealed that the charges transfer from the M atom to Mo atom of the ligand Mo3S44+ and its relationship with the MC (multiple center) d-pπ orbitals. Based on the charge transfer the electronic spectrum and the magnetic property of some cubane clusters have been discussed.

In this work, with the analysis on MO and electronic structure for a series of heteronuclear clusters with cubane type (Mo4S1) xMn1 (x = 1.2. M = Cu, W, Ni, Sb, Mo, Sn, Cu2) we found that it is with the multiple center d-pir orbitals that the ligand Mo3S44 + bonds to the M atom to form these clusters. It is revealed that the charges transfer from the M atom to Mo atom of the ligand Mo3S44 + and its relationship with the MC (multiple center) d-pπ orbitals. Based on the charge transfer the electronic spectrum and the magnetic property of some cubane clusters have been discussed.