Comparison of Ground and Excited States of [Ru(bpy)2(η2-tpy)]2+ (bpy = 2,2'-Bipyridine; tpy = Terpyridine) and Associated Protonation Chemistry

IF 0.8 4区化学 Q4 CHEMISTRY, PHYSICAL

Russian Journal of Physical Chemistry A Pub Date : 2026-02-04 DOI:10.1134/S0036024425703327

Mohammad Aminur Rahman

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Abstract

Here, the ground and excited state dynamics of [Ru(bpy)₂(η²-tpy)]²⁺ were studied. Protonation of the pendant pyridine ring of [Ru(bpy)₂(η²-tpy)]²⁺ demonstrates that intra-ligand charge transfer (ILCT) occurs between the pendant pyridine and adjacent bpy ligand in the [Ru(bpy)₂(η²-tpy)]²⁺ complex. The addition of trifluroacetic acid (TFA) results in slight spectral changes which have been assigned to the protonation of the pendant pyridine of [Ru(bpy)₂(η²-tpy)]²⁺. The protonation of the pendant pyridine increases the lifetime from 0.082 ns to 2.6 ns. Mulliken-Hush analysis of the ILCT of [Ru(bpy)₂(η²-tpy)]²⁺ has been done and compared with that of [Ru(bpy)₃]²⁺. The value for the electronic coupling element (H_DA) for [Ru(bpy)₂(η²-tpyH⁺)]³⁺ suggests that the electronic coupling between bpy and the pendant pyridine is quite strong.

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[Ru(bpy)2(η -tpy)]2+ （bpy = 2,2'-联吡啶；tpy =三联吡啶）的基态和激发态及相关质子化化学的比较

本文研究了[Ru(bpy)2(η -tpy)]2+的基态和激发态动力学。[Ru(bpy)2(η - 2-tpy)]2+中[Ru(bpy)2(η - 2-tpy)]2+的悬垂吡啶环质子化表明[Ru(bpy)2] +配合物中悬垂吡啶和相邻的bpy配体之间发生了配体内电荷转移（ILCT）。三氟乙酸（TFA）的加入引起了光谱的轻微变化，这是由于[Ru(bpy)2(η - 2-tpy)]2+的悬垂吡啶质子化所致。悬垂吡啶的质子化使寿命从0.082 ns增加到2.6 ns。对[Ru(bpy)2(η - 2-tpy)]2+的ILCT进行了Mulliken-Hush分析，并与[Ru(bpy)3]2+进行了比较。[Ru(bpy)2(η - 2- tpyh +)]3+的电子耦合元HDA值表明，bpy与悬垂的吡啶之间的电子耦合非常强。

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

Russian Journal of Physical Chemistry A 化学-物理化学

CiteScore

1.20

自引率

14.30%

发文量

376

审稿时长

5.1 months

期刊介绍： Russian Journal of Physical Chemistry A. Focus on Chemistry (Zhurnal Fizicheskoi Khimii), founded in 1930, offers a comprehensive review of theoretical and experimental research from the Russian Academy of Sciences, leading research and academic centers from Russia and from all over the world. Articles are devoted to chemical thermodynamics and thermochemistry, biophysical chemistry, photochemistry and magnetochemistry, materials structure, quantum chemistry, physical chemistry of nanomaterials and solutions, surface phenomena and adsorption, and methods and techniques of physicochemical studies.