Predictive calculation of the stability constants of silver(I) ion with pyridine and 2,2′-bipyridyl in a solvent environment

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron Pub Date : 2024-10-22 DOI:10.1016/j.poly.2024.117265

Irina A. Kuz’mina , Mariia A. Kovanova , Svetlana O. Nikiforova (Perova)

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Abstract

In the present study, the stability constants of silver(I) coordination compounds with 2,2′-bipyridyl (bpy, L) in mixed methanol–acetonitrile solvents (MeOH-AN, χ_AN = 0.0 ÷ 1.0 mol fr.) were determined by the potentiometric method at 25.0 °C. The influence of reagents solvation on the change in stability of [Ag(bpy)]⁺ and [Ag(bpy)₂]⁺ complexes upon changing the composition of the solvent MeOH→(MeOH-AN) was analyzed. It has been established that the determining factor in the shift of the complex formation equilibrium along the first and second steps of coordination with a change in the composition of the solvent is the contribution from the central ion resolvation. The obtained results and data on the thermodynamics of complex formation reactions of Ag⁺ with bpy and pyridine (py, L) in a few binary non-aqueous solvents were compared. The possibility of carrying out an estimated calculation of the stability constants of [Ag(L)]⁺ in non-aqueous solvents was confirmed.

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银（I）离子与吡啶和 2,2′-联吡啶在溶剂环境中的稳定常数的预测计算

本研究采用电位法测定了 2,2′-联吡啶（bpy，L）与银（I）配位化合物在甲醇-乙腈混合溶剂（MeOH-AN，χAN = 0.0 ÷ 1.0 mol fr.）中于 25.0 ℃下的稳定性常数。分析了试剂溶解度对改变溶剂 MeOH→（MeOH-AN）组成时 [Ag(bpy)]+ 和 [Ag(bpy)2]+ 复合物稳定性变化的影响。结果表明，随着溶剂成分的改变，络合物形成平衡在第一步和第二步配位过程中发生变化的决定因素是中心离子解析的贡献。我们比较了 Ag+ 与铋和吡啶（py, L）在一些二元非水溶剂中形成络合物反应的热力学结果和数据。证实了对非水溶剂中[Ag(L)]+ 的稳定常数进行估计计算的可能性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Polyhedron 化学-晶体学

CiteScore

4.90

自引率

7.70%

发文量

515

审稿时长

2 months

期刊介绍： Polyhedron publishes original, fundamental, experimental and theoretical work of the highest quality in all the major areas of inorganic chemistry. This includes synthetic chemistry, coordination chemistry, organometallic chemistry, bioinorganic chemistry, and solid-state and materials chemistry. Papers should be significant pieces of work, and all new compounds must be appropriately characterized. The inclusion of single-crystal X-ray structural data is strongly encouraged, but papers reporting only the X-ray structure determination of a single compound will usually not be considered. Papers on solid-state or materials chemistry will be expected to have a significant molecular chemistry component (such as the synthesis and characterization of the molecular precursors and/or a systematic study of the use of different precursors or reaction conditions) or demonstrate a cutting-edge application (for example inorganic materials for energy applications). Papers dealing only with stability constants are not considered.