Abstract
A new selenite compound CaCu(SeO3)2 was obtained by a hydrothermal method. This compound crystallizes in the monoclinic system of space group P21/c, featuring a typical spin-dimer structure. The results of magnetic and heat capacity measurements confirm that this compound has a nonmagnetic singlet ground state, while a fit of magnetic susceptibility using the spin-dimer model suggests a large spin gap of ∼329 K in the system. Although CaCu(SeO3)2 and HgCu(SeO3)2 have a similar spin-dimer structure built by [Cu2O8] dimers and SeO3 groups, the spin gap of CaCu(SeO3)2 is much larger than that of HgCu(SeO3)2. Such different spin-gap behaviors may be due to a change on the bonding geometry of spin dimers with a substitution of Ca2+ ions for Hg2+ ions, leading to stronger intradimer and weaker interdimer interaction exchanges in CaCu(SeO3)2. Also, the solid-state UV–vis diffuse reflectance spectrum shows an optical band gap of 2.71 eV in the system.
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