The High-Resolution 4f–5d Absorption Spectrum of Divalent Dysprosium (Dy2+) in Strontium Chloride Host SrCl2: Fine Structure and Zero-Phonon Transitions Revealed,The Journal of Physical Chemistry A

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The High-Resolution 4f–5d Absorption Spectrum of Divalent Dysprosium (Dy2+) in Strontium Chloride Host SrCl2: Fine Structure and Zero-Phonon Transitions Revealed
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2018-01-19 00:00:00 , DOI: 10.1021/acs.jpca.7b08620
Mirosław Karbowiak ₁ , Czesław Rudowicz ₂ , Jakub Cichos ₁

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The virtual lack of information on electronic spectra of divalent lanthanide elements (Ln²⁺) other than Sm²⁺, Eu²⁺, Tm²⁺, and Yb²⁺ has prompted us to set for synthesis and characterization of novel Ln²⁺ systems. First successful attempt concerned SrCl₂/Nd²⁺ single crystals. Here, we report stabilization of divalent dysprosium in a chloride host. Importantly this has been accomplished with Dy ions introduced in a divalent state during synthesis, unlike by γ-irradiation of Dy³⁺ systems employed previously. This synthesis method yields good quality SrCl₂/Dy²⁺ single crystals. The electronic absorption spectra of Dy²⁺ doped in SrCl₂ have been recorded with high resolution at liquid helium temperature (4.2 K). Identification of the absorption bands occurring in the spectral range of 5000–45000 cm^–1 is achieved. On the basis of theoretical calculations using semiempirical Hamiltonian model, assignment of bands and determination of the Hamiltonian parameters for Dy²⁺(4f⁹5d¹) configuration is carried out. The experimental and theoretical studies reveal fine structure and zero-phonon transitions and thus enable high-resolution assignment of spectral lines. It is shown that spin-forbidden transitions gain relatively high intensity due to significant admixing of low-spin character to nominally high-spin states.

中文翻译：

氯化锶基质SrCl ₂中二价Dy（Dy ²⁺）的高分辨率4f-5d吸收光谱：揭示了精细的结构和零P跃迁

除了Sm 2 ⁺，Eu 2 ⁺，Tm ²⁺和Yb ²⁺以外的二价镧系元素（Ln ²⁺）的电子光谱上几乎没有信息，这促使我们着手进行新型Ln ²⁺系统的合成和表征。。首次成功的尝试涉及SrCl ₂ / Nd ²⁺单晶。在这里，我们报道了氯化物宿主中二价的稳定化。重要的是，这是通过在合成过程中以二价态引入的Dy离子完成的，这与先前采用的Dy ³⁺系统的γ辐照不同。该合成方法可产生高质量的SrCl ₂ / Dy ²⁺单晶。在液氦温度（4.2 K）下已高分辨率记录了掺杂在SrCl _2中的Dy ²⁺的电子吸收光谱。可以识别在5000–45000 cm ^–1光谱范围内出现的吸收带。在基于半经验哈密顿模型的理论计算的基础上，确定了Dy ²⁺（4f ⁹ 5d ^1）的能带分配和哈密顿参数的确定）配置已执行。实验和理论研究揭示了精细的结构和零声子跃迁，从而实现了光谱线的高分辨率分配。结果表明，由于低自旋特性与名义上的高自旋态的显着混合，自旋禁止跃迁获得了相对较高的强度。

更新日期：2018-01-19

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