Synthesis, characterization, and physical properties of two trinuclear, mixed-valence species of type [mu(3)-(OMnMn2III)-Mn-II(O2CCF3)(6)(R)(3)] (R=H2O, CH3COOH)
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abstract
The preparation and characterization of two new mixed-valence, trinuclear species, [Mn3O(O2CCF3)6(H 2O)3]CF3COOH4/3H2O (1) and [Mn3O(O2CCF3)6 (CH 3COOH)3] (2), is reported. Compound 1 crystallizes in the triclinic space group, P1 (No. 2), with the parameters, a = 12.3131(9) , b = 12.4427(9) , c = 12.965(1) , = 72.593(4), = 73.453(5), = 68.345(4), V = 1727.2(2) 3, and Z = 2. A total of 14060 reflections were collected in the range 1.68 27.52. The final weighted and non-weighted agreement indices, R1 = 0.0589 and wR2 = 0.1445 were based on a total of 6953 unique reflections with an Rint value of 0.0542. Compound 2 crystallizes in the monoclinic space group, P21/n (No. 14), with the parameters, a = 12.876(3) , b = 12.212(4) , c = 17.732(4) , = 100.40(3), V = 3640.4(1) 3, and Z = 4. A total of 32197 reflections were collected in the range 1.72 27.13. The final weighted and non-weighted agreement factors, R1 = 0.0647 and wR2 = 0.1609 were based on a total of 8018 unique reflections with an Rint value of 0.0462. An investigation of the physical properties revealed that both compounds display an intermediate ground state of S = 3/2 as a consequence of intramolecular antiferromagnetic coupling. The magnetic data for compound 1 was best fit to the parameters g = 2.09, J = -5.5 cm-1, J = -3.4 cm-1, and DMn(III) = -4.5 cm-1; the data for compound 2 was best fit to the parameters g = 2.10, J = -2.9 cm-1, J = -5.5 cm-1, and DMn(III) = -4.5 cm-1.
