Departamento de Química, Universidade Federal de Santa Catarina, Campus Universitário Trindade, 88040-900, Florianópolis-SC, Brazil.
Dalton Trans. 2012 Jun 28;41(24):7327-39. doi: 10.1039/c2dt12094a. Epub 2012 May 11.
Ruthenium complexes including nitrosyl or nitrite complexes are particularly interesting because they can not only scavenge but also release nitric oxide in a controlled manner, regulating the NO-level in vivo. The judicious choice of ligands attached to the [RuNO] core has been shown to be a suitable strategy to modulate NO reactivity in these complexes. In order to understand the influence of different equatorial ligands on the electronic structure of the Ru-NO chemical bonding, and thus on the reactivity of the coordinated NO, we propose an investigation of the nature of the Ru-NO chemical bond by means of energy decomposition analysis (EDA), considering tetraamine and tetraazamacrocycles as equatorial ligands, prior to and after the reduction of the {RuNO}(6) moiety by one electron. This investigation provides a deep insight into the Ru-NO bonding situation, which is fundamental in designing new ruthenium nitrosyl complexes with potential biological applications.
钌配合物，包括亚硝酰基或亚硝酸盐配合物，特别有趣，因为它们不仅可以清除，还可以以可控的方式释放一氧化氮，从而调节体内的一氧化氮水平。已证明，合理选择连接到[RuNO]核心的配体是调节这些配合物中 NO 反应性的合适策略。为了了解不同赤道配体对 Ru-NO 成键电子结构的影响，从而影响配位 NO 的反应性，我们提出通过能量分解分析（EDA）研究 Ru-NO 化学键的性质，考虑四胺和四氮大环作为赤道配体，在还原{RuNO}(6)部分之前和之后通过一个电子。这项研究深入了解了 Ru-NO 键合情况，这对于设计具有潜在生物应用的新型钌亚硝酰基配合物具有重要意义。
