Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-)

Michele D.Faucher; Peter A.Tanner; Chris S.K.Mak

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Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-)

机译：TmCl_6〜（3-）中Tm〜（3+）的电子能谱和构型相互作用

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Low-temperature electronic absorption and emission data are reported for Tm~(3+) at the octahedral site in crystals of Cs_2NaTmCl_6.Thirty-seven crystal field levels (total degeneracy 88) of the f~12 configuration (total degeneracy 91) have been assigned,and in several cases the levels are split due to electron—phonon coupling interactions.The fitting of the energy levels,using the conventional f~12 analysis with 12 variable parameters,gives a mean deviation of 53.3 cm~(-1).This is reduced to 9.3 cm~(-1) by including the 4f~12np~6/4f~13np~5 configuration interaction,using 16 variable parameters.The results indicate a tendency for the early members in the series of Ln~(3+) ions to interact with the p-electron,and the later members with the p-hole,configurations,following the redox properties of the ions.The interacting configuration is charge-transfer (n — 3) rather than metal ion (n — 5),and the mixing of ligand wave functions with those of the metal ion may be responsible for the unusually strong electron—phonon coupling identified for several electronic states of Tm~(3+) in TmC_6~(3-).

机译：报道了Cs_2NaTmCl_6晶体八面体处Tm〜（3+）的低温电子吸收和发射数据。已发现f〜12构型的37个晶体场级（总简并性88）（总简并性91）。在一些情况下，这些能级由于电子-声子耦合相互作用而分裂。能级的拟合使用常规的f〜12分析和12个可变参数得出，平均偏差为53.3 cm〜（-1）。通过使用16个可变参数包括4f〜12np〜6 / 4f〜13np〜5配置相互作用，将其减少到9.3 cm〜（-1），结果表明Ln〜（3 +）离子与p电子相互作用，随后的成员具有p孔构型，遵循离子的氧化还原特性。相互作用的构型是电荷转移（n-3）而不是金属离子（n- 5），并且配体波函数与金属离子的混和可能是导致不统一的原因。在TmC_6〜（3-）的Tm〜（3+）的几个电子状态中，我们发现了很强的电子-声子耦合。

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《The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical》 |2004年第24期|共10页
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Michele D.Faucher; Peter A.Tanner; Chris S.K.Mak;
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2. Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-) [J] . Michele D.Faucher, Peter A.Tanner, Chris S.K.Mak The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2004,第24期

机译：TmCl_6〜（3-）中Tm〜（3+）的电子能谱和构型相互作用
3. Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-) [J] . Michele D. Faucher, Peter A. Tanner, Chris S. K. Mak The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2004,第24期

机译：TmCl_6〜（3-）中Tm〜（3+）的电子能谱和构型相互作用
4. Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-) [J] . Michele D.Faucher, Peter A.Tanner, Chris S.K.Mak The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2004,第24期

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Electronic Spectra and Configuration Interaction of Tm~(3+) in TmCl_6~(3-)

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