Literature DB >> 23074974

Electronic excitation to singlet states of 1,3-C4F6, c-C4F6 and 2-C4F6 by electron impact--electron energy-loss spectroscopy and ab initio calculations.

P Limão-Vieira1, K Anzai, H Kato, M Hoshino, F Ferreira da Silva, D Duflot, D Mogi, T Tanioka, H Tanaka.   

Abstract

We report on the first measurements of the electron impact electronic excitation cross sections for C(4)F(6) isomers, hexafluoro-1,3-butadiene (1,3-C(4)F(6)), hexafluorocyclobutene (c-C(4)F(6)), and hexafluoro-2-butyne (2-C(4)F(6)), measured at 100 eV, 3° scattering angle, while sweeping the energy loss over the range 2.0-15.0 eV. Under these experimental conditions, optically allowed transitions are favored. The electronic state spectroscopy has been investigated and the assignments supported by quantum chemical calculations. The n = 3 members of the Rydberg series have been assigned converging to the lowest ionization energy limits of the C(4)F(6) isomers and classified according to the magnitude of the quantum defects (δ).

Entities:  

Year:  2012        PMID: 23074974     DOI: 10.1021/jp307599y

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  1 in total

1.  Analysis of lowest energy transitions at TD-DFT of pyrene in vacuum and solvent.

Authors:  Eric L Graef; João B L Martins
Journal:  J Mol Model       Date:  2019-06-07       Impact factor: 1.810

  1 in total

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