Studies of low-lying triplet states in 1,3-C4F6, c-C4F6 and 2-C4F6 by electron energy-loss spectroscopy and ab initio calculations

P. Limão-Vieira, D. Duflot, K. Anzai, H. Kato, M. Hoshino, F. Ferreira da Silva, D. Mogi, T. Tanioka, Hiroshi Tanaka

Research output: Contribution to journalArticle

4 Citations (Scopus)

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 degrees, 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. (C) 2013 Elsevier B.V. All rights reserved.
Original languageEnglish
Pages (from-to)32-36
Number of pages5
JournalChemical Physics Letters
Volume574
DOIs
Publication statusPublished - 14 Jun 2013

Keywords

  • SCATTERING CROSS-SECTIONS
  • GAUSSIAN-BASIS SETS
  • VIBRATIONAL-SPECTRA
  • MOLECULAR-STRUCTURE
  • C4F6 MOLECULES
  • HEXAFLUORO-1,3-BUTADIENE
  • HEXAFLUOROCYCLOBUTENE
  • ATTACHMENT
  • PERFLUORO-1,3-BUTADIENE
  • TEMPERATURE

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