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准四面体(C_(2υ))的钴(Ⅱ)吡唑类配合物配位场光谱的角度重叠模型(AOM)解析 被引量:1
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作者 豆育升 任友贤 +1 位作者 赵建社 刘源发 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 1989年第11期1156-1159,共4页
我们曾陆续合成了一些3,5-二苯基吡唑及其衍生物的过渡金属配合物,这些配合物具有一定的催化性能。为了探讨这些配合物中配体和金属离子之间的键合情况,本文对其中的CoL_2Cl_2(L=1-甲基-3,5-二苯基吡唑)和最近文献发表的CoL′_2X_2(L′... 我们曾陆续合成了一些3,5-二苯基吡唑及其衍生物的过渡金属配合物,这些配合物具有一定的催化性能。为了探讨这些配合物中配体和金属离子之间的键合情况,本文对其中的CoL_2Cl_2(L=1-甲基-3,5-二苯基吡唑)和最近文献发表的CoL′_2X_2(L′=1-甲基-3,4-二苯基吡唑,X=Cl^-,Br^-,I^-和NCS^-)的配位场光谱数据用AOM进行了处理,所用计算机程序见文献。 展开更多
关键词 合物 吡唑 AOM 配位场光谱
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Improved Ligand-Field Calculation of Energy Spectrum and R-Line Thermal Shift of MgO:Cr^3+
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作者 ZHANG Zheng-Jie MA Dong-Ping 《Communications in Theoretical Physics》 SCIE CAS CSCD 2007年第5期937-943,共7页
Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved... Traditional ligand-field theory has to be improved by taking into account both pure electronic contribution and electron-phonon interaction one (including lattice-vibrational relaxation energy). By means of improved ligand-field theory, the R-line, t^3 2^2 T1 lines, t^2 2(^3 T1)e^4 T2, and t^2 2(^3T1)e^4T1 bands, ground-state g factor, four strain-induced level- splittings, and R-line thermal shift of MgO:Cr^3+ have been calculated. The results are in very good agreement with the experimental data. It is found that for MgO:Cr^3+, the contributions due to electron-phonon interaction (EPI) come from the first-order term. In thermal shift of R-line of MgO:Cr^3+, the temperature-dependent contribution due to EPI is dominant. 展开更多
关键词 improved ligand-field theory electron-phonon interaction energy spectrum strain-induced splitting thermal shift g factor
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