Ru3+离子在Y3Al5O12晶体中的缺陷结构和自旋哈密顿参量研究

采用合适的模型和参量,用适于强场低自旋（S=1/2）d5组态的微扰公式计算了4d5离子Ru3+在Y3Al5O12晶体中的自旋哈密顿参量（g因子g∥, g⊥和超精细结构常数 A∥和A⊥）.通过计算,合理地解释了这些自旋哈密顿参量并获得了Ru3+杂质中心在Y3Al5O12晶体中的缺陷结构.     

[Cu(H_2O)_2(en)][SO_4]晶体的局域结构和吸收光谱研究

根据赵敏光等提出的半自洽3d轨道模型和点电荷模型,建立了过渡金属离子晶体的局域结构与吸收光谱之间的定量关系,对[Cu（H2O）2（en）][SO4]晶体的局域结构和吸收光谱进行了统一解释,还预测了其EPR谱的值．其理论计算结果与实验观测值符合．     

Photochemistry of hypocrellin derivatives under aerobic conditions

Hypocrellins are a novel type of photosensitizers. A series of new hypocrellin B (HB) derivatives have been synthesized to overcome their limitations, i.e. to improve their red absorption and amphiphilicity. The generation of reactive oxygen species (including Superoxide anion radical, hydroxyl radical and singlet oxygen) is investigated in the presence of oxygen. The chemical structures of HB derivatives affect not only the generation efficiencies of Superoxide and hydroxyl radicals, but also quantum yields of singlet oxygen.     

The first observation of Mo5+ in the passivation layer of Mo2N

Molybdenum nitride powder with sg of 115 m2·g-1 (passivated) has been prepared by a temperature programmed reaction of MoO3 in H2/N2 mixture. It exhibited high catalytic activity in CO oxidation at low temperature. XPS, EPR and LRS studies have shown the existence of mixed valence states of Mo ions, especially Mo5+ ion (g⊥=1.932, g‖=1.892) observed for the first time, in the passivation layer of molybdenum nitride. A surface superoxide species, O-2(g = 2.001, Raman band 1 124 cm-1), was found to be produced accompanying the transformation of Mo5+/Mo4+ redox pair. Evidence has been given to suggest that this surface superoxide might be responsible for CO oxidation over Mo2N catalyst.     

小型电子顺磁共振谱仪

介绍了自制的小型ＥＰＲ谱仪,其特点是系统采用组合式结构,体积小,质量轻,耗电少,造价低,测试原理清晰,灵敏度较高,分辨率较好。