软X射线吸收光谱研究钴基药物配合物的局域3d电子结构
Local 3d Electronic Structures of Co-Based Complexes with Medicinal Molecules Probed by Soft X-Ray Absorption
摘要：
用Co L2，3边软X射线吸收光谱研究了药物分子D-青霉胺（D-pen）与Co-Au多核配合物[Co{Au（PPh 3）（D-pen）}2] ClO 4和[Co 3 {Au 3（tdme）（D-pen）3}2]的局域3d电子结构. CoL_2，3边XAS谱表明两种材料都存在局域的离子3d电子态。用全多重态理论对配位场作用下的局域Co离子进行了光谱模拟，很好地解释了实验光谱，证实了前者的离子处于低自旋Co ~（3+）态，后者的离子处于高自旋Co ~（2+）态.
英文摘要：
We have examined the local 3d electronic structures of Co-Au multinuclear complexes with the medicinal molecules D-penicillaminate (D-pen) [Co{Au(PPh3)(D-pen)}2]ClO4 and [Co3{Au3(tdme)(D-pen)3}2] by Co L_2,3-edge soft X-ray absorption (XAS) spectroscopy, where PPh3 denotes triphenylphosphine and tdme stands for 1,1,1-tris[(diphenylphosphino)methyl]ethane. The Co L_2,3-edge XAS spectra indicate the localized ionic 3d electronic states in both materials. The experimental spectra are well explained by spectral simulation for a localized Co ion under ligand fields with the full multiplet theory, which verifies that the ions are in the low-spin Co3+ state in the former compound and in the high-spin Co2+ state in the latter.
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