Title of article :
Studies of low-lying triplet states in 1,3-C4F6, c-C4F6 and 2-C4F6 by electron energy-loss spectroscopy and ab initio calculations
Author/Authors :
Limمo-Vieira، نويسنده , , P. and Duflot، نويسنده , , D. and Anzai، نويسنده , , K. and Kato، نويسنده , , H. and Hoshino، نويسنده , , M. and Silva، نويسنده , , F. Ferreira da and Mogi، نويسنده , , D. and Tanioka، نويسنده , , T. and Tanaka، نويسنده , , H.، نويسنده ,
Abstract :
This Letter reports on the first measurements of the lowest lying triplet states as studied by electron energy loss spectroscopy for C4F6 isomers, hexafluoro-1,3-butadiene (1,3-C4F6), hexafluorocyclobutene (c-C4F6) and hexafluoro-2-butyne (2-C4F6). This study has been performed at an incident electron energy of 30 eV, 30°, whilst sweeping the energy loss over the range 2.0–15.0 eV. The electronic state spectroscopy has been investigated and the assignments supported by multi-reference quantum chemical calculations. The transition to the steepest electronic excited potential energy curve, is suggested to be dominant for 2-C4F6, due to the large broadening in its energy profile.
