Two new diradical dications were modeled by substituting sulfur with its heavier counterparts, selenium, and tellurium referred to as SeH 2+•• and TeH 2+•• respectively. Despite similar electronic configurations of the chalcogenides, there is a surprising variation in the magnetic properties of the diradical dications. BS-DFT calculations performed at WB97X-D3/def2-TZVP level reveal ferromagnetic coupling in SeH 2+•• with 2J value of 48.0 cm -1 and antiferromagnetic coupling in TeH 2+•• with 2J value of -62.22 cm -1 (Table . 1). CASSCF+NEVPT2 calculations were performed with CAS(4,4) active space for better quantitative estimates of 2J. The same active space scanning approach was used to incorporate the appropriate orbitals into the active space (Fig. ). The magnitudes of 2J were predicted to be 61.2 cm -1 for SeH 2+•• and -57.0 cm -1 for TeH 2+•• which are in qualitative agreement with the results of BS-DFT calculations.