“…This facile movement of water molecules seems to increase when Th(NO 3 ) 4 appears in the investigated ternaries. This fact, substantiated by the extensive hydrolysis [40,41] It is reported [39] that in the crystal structure, caffeine molecules possess a hydrophilic centre at the imidazole nitrogen atom, N9, (figure 1) susceptible to hydrogen bonding and that the hydrated water molecule effloresces via a molecular escape tunnel through the crystallographic a-face of the lattice (space group P2 1 /c). However, the various possible interactions between caffeine and Th(NO 3 ) 4 in water can roughly be summarized as follows: (i) interaction of N9(caffeine) and Th 4+ ion, (ii) interaction of N9(caffeine) and H + ion, (iii) interaction of C@O (2) and Th 4+ ion, (iv) interaction of C@O (6) and Th 4+ ion, (v) interaction of C@O (2) and H + ion, (vi) interaction of C@O (6) and H + ion, (vii) interaction of N1(caffeine) and NO À 3 ion, (viii) interaction of N3(caffeine) and NO À 3 ion, (ix) interaction of N7(caffeine) and NO À 3 ion, and (x) ionic-hydrophobic interactions between ions of Th(NO 3 ) 4 and non-polar part of caffeine molecules.…”