Quantum chemical calculation sulfur cation

The transient observed in neutral solution containing MME by optical absorption with = 380 nm was assigned to a monomeric radical cation characterized by a three-electron-bond between sulfur and nitrogen atoms in a five-membered ring configuration and confirmed by quantum chemical calculations (Chart 6). 

In order to understand the observation that oxygen in the oxidation state +0.5 forms salts that contain the O2" cation with a variety of anions while sulfur in the same oxidation state forms a dimer of the composition S4 [=(S2 )2]> the gas phase dissociation enthalpy of 84 giving two 82 assessed by quantum chemical calculations [20, 21], i.e. [(g)=gaseousj ... 

Homoatomic sulfur cation are a fascinating class of compounds that maximize non-classical bonding in their solid state structures. Synthesis as well as quantum chemical calculations of these species are difficult but yet possible tasks and their structures and bonding interactions are now well understood. Structure and bonding of the in the solid state characterized sulfur... 

---