10.1021/ja051659d.s001 Robin Anderson Robin Anderson Andrew R. Barron Andrew R. Barron Reaction of Hydroxyfullerene with Metal Salts:  A Route to Remediation and Immobilization American Chemical Society 2005 Molecular mechanics calculations pH range XPS CoCl 2 AFM UV CuCl 2 CaCl 2 Immobilization Hydroxylated fullerene TEM KMnO 4 model systems Fe ZnCl 2 SEM waste treatment fullerene exposure octahedral coordination precipitation reaction 2005-08-03 00:00:00 Journal contribution https://acs.figshare.com/articles/journal_contribution/Reaction_of_Hydroxyfullerene_with_Metal_Salts_A_Route_to_Remediation_and_Immobilization/3274780 Hydroxylated fullerene reacts rapidly and irreversibly (across a wide pH range) with Fe(NO<sub>3</sub>)<sub>3</sub>, Al(NO<sub>3</sub>)<sub>3</sub>, CaCl<sub>2</sub>, CoCl<sub>2</sub>, CuCl<sub>2</sub>, KMnO<sub>4</sub>, Ag(NO<sub>3</sub>), and ZnCl<sub>2</sub> under ambient aqueous conditions to produce insoluble metal−hydroxyfullerene cross-linked polymers (M−fullerenol). Materials have been characterized by SEM, TEM, AFM, XPS, and UV−visible spectroscopy. Molecular mechanics calculations on the model systems, [Fe(C<sub>60</sub>O<sub>2</sub>)<sub>2</sub>] and [Fe(C<sub>60</sub>O<sub>2</sub>)<sub>3</sub>], show that both tetrahedral and octahedral coordination are possible. The rate of precipitation reaction is proportional to the concentration of both reagents. The interaction of hydroxyfullerenes with metals is an important issue with regard to waste treatment, fullerene exposure in the environment, and fullerene-based pharmaceutical agents.