Flash Vacuum Thermolysis of 4H-3,1-Benzodithiin-4-thione: UV-Photoelectron Spectroscopy Characterization of Benzothiet-2-thione and Quantum Chemistry Studies

Abstract

Flash vacuum thermolysis of 4H-1,3-benzodithiin-4-thione (2) resulted in the formation of phenanthro[9,10-c]-1,2-dithiete (3) and 3H-1,2-benzodithiole-3-thione (4). The mechanism of this reaction, including the formation of benzothiet-2-thione (5′) as an intermediate, has been postulated. UV photoelectron spectra of 2 at variable temperature flash vacuum thermolysis have been recorded and analyzed considering the theoretical evaluation of ionisation potentials.

Keywords:

• Benzothiet-2-thione
• flash vacuum thermolysis
• ionization potentials
• UV-photoelectron spectra

Dedicated to Professor Marian Mikołajczyk, CBMiM PAN in Łódź, Poland, on the occasion of his 70th birthday.

TD and AC are grateful to the French Ministry of Foreign and European Affairs for its Eiffel Doctorate Scholarship, the French Ministry of High Education and Research for financial support, and they acknowledge Mr. Patrick Baylère for very efficient technical assistance. The authors thank the Rector of the University of Łódź for financial support (Grant 505/740).

Notes

∗Δ SCF,

∗∗Exp. IP.