Organic radicals that possess a high spin ground state and stability at room temperature exhibit distinctive characteristics that make them ideal candidates for organic spintronic applications. High spin diradicals have extensive applications in organic molecular magnets, organic field effect transistors, spin probes, spintronic devices, organic batteries, and organic superconductors due to their properties like low density, malleability, flexibility, and structural tunability. However, the high reactivity of high spin radicals makes them unstable under ambient conditions, posing a major challenge in their utilization. Nonetheless, several stable radicals have been synthesized by utilizing steric protecting and polar substituents to stabilize them. The first stable radical is the triphenylmethyl radical which was synthesised by Gomberg in 1900. Since then several radicals have been synthesized with nitroxidesubstituted nitronyl nitroxide, nitroxide-substituted imino-nitroxide, and m-xylylene being some of the notable examples. Blatter's radical, first synthesized by Blatter and his team in 1968 has gained a lot of interest in recent years due to its remarkable stability to air and water. The synthesis of nitronyl-nitroxide substituted Blatter's radical by Rajca et al. in 2016 was a breakthrough as they were able to achieve strong ferromagnetic coupling with high thermal stability. The typical diradical is comprised of two radical centers (regions where the spin density is predominantly localized) and a coupler that facilitates the exchange interaction between the spin centers. The choice of spin centers, coupler, and the overall geometry of the diradical dictates the ground spin state and the strength of exchange interaction. The extensive π-conjugation in polycyclic aromatic hydrocarbons (PAHs) makes them excellent candidates as couplers. They allow a high degree of spin delocalization from the radical centers, enabling strong exchange interaction via the mechanism of spin polarization. Most radical centers are based around carbon, nitrogen, and oxygen which are common heteroatoms in aromatic compounds. Nitroxide radicals in particular are very popular radi-cal centers due to their stability and ease with which they can be incorporated in different molecules. The vast majority of the diradical molecules which have been synthesized are neutral molecules. This means that even though they may exhibit ferromagnetic exchange in the gas phase, they could have reduced exchange coupling in the solid state or even antiferromagnetic coupling due to significant π -π interactions with neighbouring molecules. In this regard charged radicals like diradical dications are desired as their strong coulomb repulsion with the neighbouring radical ion can help preserve their gas-phase spinstate. Sulfur-containing PAHs have shown interesting properties which could make them superior to traditional O/C/N-containing PAHs. However, sulfur-based diradicals are exceedingly rare and are often associated with electronegative groups to stabilize them. In 2020, Tang et. al. were able to isolate the first pure sulfur dication diradical with a triplet ground state which is stable at room temperature. The diradical dication, 2,11-dit-butyl [1,4]benzodithiino [2',3':9,10]phenanthro [4,5-abc]thianthrene (tb 2 SH 2+•• ) consists of two benzene rings attached to pyrene via sulfur, with the radical centers located on the sulfurdoped rings. Using SQUID measurements, they determined the magnetic exchange coupling constant (2J) to be 121 cm -1 . Motivated by this development, we have carried out a thorough computational study using both density functional theory (DFT) and wavefunction-based approaches to understand the detailed mechanism behind the ferromagnetic coupling in the molecule. Moreover, two new diradical dications were also modeled by substitution of sulfur with heavier elements of the same group.