LAUSR

Abstract Two linear Ln-Mn(III) clusters were obtained with the formulae of [Gd2Mn(H2TEOA)4(C7H5O2)2](NO3)3·4(H2O) (1) and [Tb2Mn(H2TEOA)4(C7H5O2)2](C7H5O2)2(NO3)·(H3TEOA)·5(H2O) (2) in the presence of the mixed ligands of triethanolamine (H3TEOA) and benzoic acid. The multidentate ligand 2,2-bis(hydroxymethyl)butyric acid (H3L) and benzoic acid as mixed ligands, two neutral Ln-Mn(III) clusters were prepared with the formulae of [Ln6Mn2(L)4(H2L)4(C7H5O2)4(C2H5OH)2(NO3)4(H2O)4]·(CH3CN)·24(H2O) (Ln = Gd for 3, Ln = Tb for 4, H3L = 2,2-bis(hydroxymethyl)butyric acid). Single X-ray analysis showed that three metal ions of compounds 1–2 were located on a straight line and eight metal ions of compounds 3–4 were on a coplanar plane, forming a quadrilateral arrangement. Magnetic data indicated that compounds 1–4 all exhibited obvious antiferromagnetic properties. The results of Quantum Monte Carlo (QMC) calculation of compound 3 showed that four magnetic coupling interactions of J1 = –0.401(5) cm−1, J2 = 0.370(7) cm−1 for Gd⋯Mn and J3 = −0.498(7) cm−1, J4 = 0.711(7) cm−1 for Gd⋯Gd were present. The values of −0.401(5) cm−1 for J1 and −0.498(7) cm−1 for J3 suggested that the antiferromagnetic coupling interactions of Gd⋯Mn and Gd⋯Gd in the low temperature region were dominant in 3.