Abstract
We have determined the gas-phase basicities of S6 and S8 by means of Fourier transform ion cyclotron resonance spectroscopy (FT-ICR): 167.8 and 187.1 kcal/mol, respectively. An ab initio investigation of the local minima of the S6H+ potential energy surface shows that the most stable protonated species corresponds to a distorted five-membered ring structure rather than to a six-membered ring species. When the final energy of the aforementioned protonated species is evaluated at the G2(SVP,MP2) level, the agreement with the experimental value is very good. A G2(MP2) survey of the S4 and S4H+ potential energy surfaces shows that the most stable neutral and protonated species present cis open-chain structures. The relative stabilities of the different species investigated are extremely sensitive to electron correlation effects. At the G2(MP2) level S4 is predicted to be slightly more basic than S6 in the gas phase. Some preliminary ab initio calculations on the most probable structures of S8H+ are also reported.
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