Structural and magnetic properties of spin-1/2 dimer compound Cu₂(IPA)₂(DMF)(H₂O) with a large spin gap

We present the synthesis and a detailed investigation of structural and magnetic properties of metal-organic compound Cu$_2$(IPA)$_2$(DMF)(H$_2$O) by means of x-ray diffraction, magnetization, and heat capacity measurements. Single crystals of the title compound were synthesized by judicious selection of organic ligand and employing a selective hydrothermal reaction route. It crystallizes in an orthorhombic structure with space group $Cmca$. The structural analysis revealed that two Cu$^{2+}$ ions are held together by the organic component (-O-C-O-) in a square paddle-wheel to form spin dimers which are aligned perpendicular to each other and are further coupled through organic ligands (isophthalic acid) forming two-dimensional layers. Temperature dependent magnetic susceptibility $\chi(T)$ could be described well using spin-$1/2$ dimer model. The spin susceptibility $\chi_{\rm spin} (T)$ shows an exponential decrease in the low temperature region, below the broad maximum, confirming the singlet ground state with a large spin gap of $\Delta/k_{\rm B} \simeq 409$~K. The heat capacity $C_{\rm p}$ measured as a function of temperature also confirms the absence of magnetic long-range-order down to 2~K.