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Calculation of Energy Parameters for Interactions of Nd(III) and Pr(III) with DL-Serine by Using Their Absorption Spectra As a Probe in the Presence and Absence of Zn(II) in Different Solvents
Russian Journal of Physical Chemistry A ( IF 0.7 ) Pub Date : 2020-12-04 , DOI: 10.1134/s0036024420130154
Ramananda Singh Naorem , Dhritiman Borgohain , N. Mohondas Singh

Abstract

In this study, the energy parameters such as Slater–Condon (FK) factor, Lande spin-orbit coupling constant (\({{\xi }_{{4f}}}\)), nephelauxetic ratio (β), bonding parameter (b1/2), and percent covalency (δ), have been evaluated involving the interaction between Nd(III) and Pr(III) with DL-serine by using their absorption spectra as a probe. The effect of Zn(II) was also investigated on their interaction in different solvents namely DMF, dioxane, methanol and acetonitrile. The variation in the values of these parameters were observed which revealed the formation of a bond between Nd(III) and DL-serine and also between Pr(III) and DL-serine. Further, oscillatory strength and Judd–Ofelt parameters were also calculated for every concern transitions. In both the interactions, it has been found that the solvent DMF promoted 4f–4f electric dipole intensity most out of the four different solvents.



中文翻译:

利用Nd(III)和Pr(III)与DL-丝氨酸相互作用的吸收光谱作为探针,计算Nd(III)和Pr(III)与DL-丝氨酸相互作用的能量参数

摘要

在这项研究中,诸如Slater-Condon(F K)因子,Lande自旋轨道耦合常数(\({{\ xi} _ {{4f}}} \\)),新陈代谢率(β),键合等能量参数参数(b 1/2)和共价百分比(δ)已通过使用Nd(III)和Pr(III)与DL-丝氨酸的吸收光谱作为探针进行了评估。还研究了Zn(II)在不同溶剂(DMF,二恶烷,甲醇和乙腈)中的相互作用。观察到这些参数值的变化,揭示了Nd(III)和DL-丝氨酸之间以及Pr(III)和DL-丝氨酸之间的键的形成。此外,还为每个关注的跃迁计算了振荡强度和Judd-Ofelt参数。在这两种相互作用中,已发现溶剂DMF在四种不同的溶剂中最多能促进4 f– 4 f的电偶极强度。

更新日期:2020-12-04
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