. 2022 Nov 25;7(48):43803–43812. doi: 10.1021/acsomega.2c04903

Table 3. Theoretically Estimated Binding and Gibb’s Free Energy of Formation for Ru–Citrate Species from [Ru(NO)(OH)₅]^2– and the Bond Distance (in Å) between Ru and the Atoms Directly Coordinated to It.

species	BE/(kJ/mol)	ΔG/(kJ/mol)	Ru–N	Ru–O(OH)	N–O	Ru–O(citrate)
[Ru(NO)(OH)₅]^2–			1.73	2.05, 2.02, 2.11, 2.05, 2.12	1.19
[Ru(NO)(citrate)(OH)₂]^2–	–359.91	–459.99	1.72	2.05, 1.98	1.17	2.10, 2.08, 2.14
[Ru(citrate)₂]^3–	–387.45	–517.22				2.09, 2.10, 2.04, 2.04, 2.10, 2.09

Table 3. Theoretically Estimated Binding and Gibb’s Free Energy of Formation for Ru–Citrate Species from [Ru(NO)(OH)5]2– and the Bond Distance (in Å) between Ru and the Atoms Directly Coordinated to It.