Electronic Spectra of Cs2NaYbF6 and Crystal Field Analyses of YbX63- (X = F, Cl, Br)

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• 作者：Xianju Zhou ; Michael F. Reid ; Michè ; le D. Faucher ; Peter A. Tanner
• 刊名：Journal of Physical Chemistry B
• 出版年：2006
• 出版时间：August 3, 2006
• 年：2006
• 卷：110
• 期：30
• 页码：14939 - 14942
• 全文大小：88K
• 年卷期：v.110,no.30(August 3, 2006)
• ISSN：1520-5207

文摘

Detailed analysis of the vibronic structure in the electronic absorption spectrum of Cs₂NaYbF₆ at temperaturesbetween 10 and 300 K enables the crystal field energy level diagram of Yb³⁺ in this cubic host to be deduced.Ultraviolet and visible laser excitation of Cs₂NaYbF₆, Cs₂NaY_0.9Yb_0.1F₆, and Cs₂NaHo_0.99Yb_0.01F₆ give spectralfeatures mainly due to Yb³⁺ being situated at a range of defect sites. The 4f¹³ crystal field analyses of octahedralYbX₆^3- (X = F, Cl, Br) systems show the expected trends in parameter values, but the energy level fits arepoor. Inclusion of the interaction with the charge-transfer configuration 4f¹⁴np⁵ provides an exact fitting ofenergy levels for YbX₆^3-, and a smooth variation of ff and fp crystal field parameters for Cs₂NaLnCl₆ (Ln= Er, Tm, Yb) is observed.