Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations

Table 3

Linear relationship between solute retention (𝑅_𝑀) and organic modifier volume fraction (𝜑). Accompanied statistics (R: Pearson’s correlation coefficient, F: Fisher’s parameter, S.D.: model standard deviation, n: number of calibration points) with values of intercept (𝑅⁰_𝑀) and slope (−𝑏).

Compound	Chromatographic parameters
	𝑅^0𝑀	−𝑏	R	S.D.	F	n
1,2,3-Benzotriazole	1.13±0.16	2.05±0.32	0.9642	0.052	39.65	5
4-Chlorobenzoic acid	1.98±0.18	2.83±0.36	0.9770	0.056	62.92	5
2-Nitrobenzaldehyde	1.99±0.11	2.73±0.22	0.9901	0.035	149.91	5
4-Bromoaniline	2.74±0.19	3.81±0.38	0.9858	0.059	103.48	5
Phenol	1.64±0.05	2.94±0.11	0.9981	0.017	768.73	5
Benzophenone	2.86±0.11	3.42±0.23	0.9935	0.036	229.29	5
3-Nitrobenzaldehyde	1.98±0.20	2.73±0.39	0.9707	0.062	48.96	5
4-Aminobenzoic acid	0.65±0.07	1.38±0.14	0.9848	0.022	96.39	5
Phthalimide	1.40±0.18	2.32±0.35	0.9671	0.056	43.29	5
1,4-Benzoquinone	0.61±0.08	1.10±0.15	0.9723	0.024	51.88	5
4-Nitrophenol	1.66±0.13	2.83±0.25	0.9886	0.039	129.19	5
3-Nitrophenol	2.22±0.15	3.67±0.30	0.9900	0.048	147.99	5
Benzyl alcohol	0.87±0.07	1.86±0.13	0.9924	0.021	195.84	5
Naphthylamine	2.40±0.08	3.75±0.15	0.9976	0.024	612.44	5
2-Naphthol	2.30±0.10	3.70±0.21	0.9954	0.033	323.64	5
4-Fluoroaniline	1.56±0.16	2.68±0.32	0.9789	0.051	68.73	5
1-Naphthol	2.44±0.23	3.75±0.46	0.9785	0.072	67.56	5
4-Hydroxybenzaldehyde	1.16±0.25	2.33±0.49	0.9396	0.078	22.59	5
3-Chloronitrobenzene	2.67±0.25	3.75±0.50	0.9747	0.078	57.07	5
2,4-Dichlorophenol	2.73±0.30	4.35±0.60	0.9728	0.095	52.89	5
4-Methylphenol	1.61±0.10	2.80±0.194	0.9928	0.031	207.53	5
4-Chlorophenol	2.10±0.08	3.49±0.16	0.9969	0.025	487.62	5
Anthracene	4.37±0.50	5.96±0.98	0.9616	0.155	36.87	5
Acetophenone	1.66±0.15	2.75±0.29	0.9836	0.046	89.03	5
2-Aminophenol	1.15±0.19	2.37±0.37	0.9657	0.059	41.45	5
4-t-Butylphenol	3.16±0.17	4.93±0.35	0.9927	0.055	204.43	5
1,3,5-Trihydroxybenzene	0.38±0.29	1.79±0.57	0.8754	0.090	9.84	5
2,6-Dimethylphenol	2.41±0.06	3.77±0.13	0.9984	0.020	908.70	5
Ru-1	3.90±0.32	5.45±0.74	0.7903	0.155	6.65	6
Ru-2	3.97±0.22	5.71±0.51	0.8797	0.106	13.69	6
Ru-3	3.96±0.16	5.75±0.38	0.8263	0.079	8.61	6
Ru-4	3.24±0.32	4.56±0.74	0.9351	0.154	27.86	6
Ru-5	3.20±0.30	4.69±0.69	0.8732	0.145	12.84	6
Ru-6	1.97±0.08	3.24±0.18	0.9564	0.037	42.93	6
Ru-7	1.13±0.08	2.02±0.19	0.9875	0.039	157.10	6
Ru-8	1.88±0.14	3.22±0.31	0.9563	0.066	42.81	6
Ru-9	2.35±0.17	3.58±0.40	0.9010	0.084	17.25	6
Ru-10	3.04±0.14	4.73±0.31	0.9824	0.066	110.36	6