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Complexation and bonding studies on [Ru(NO)(H<sub>2</sub>O)<sub>5</sub>]<sup>3+</sup> with nitrate ions by using density functional theory calculation

Akane Kato, Masashi Kaneko, Satoru Nakashima

RSC Advances · 2020 · 11 citations · 43 references

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Abstract

Density functional study on the complexation of [Ru(NO)(H<sub>2</sub>O)<sub>5</sub>]<sup>3+</sup> with NO<sub>3</sub><sup>−</sup> ions reproduced the stabilities of the geometrical isomers and the stepwise substitution reactivities by combining the association energy with the leaving/entering ligands.

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