Intermediate energy electron impact excitation of composite vibrational modes in phenol

Rafael Coelho Neves; Darryl Jones; M Lopes; Kate Nixon; E de Oliveira; R da Costa; Marcio Varella; Marcio Bettega; Marco Lima; George Barbosa Da Silva; Michael Brunger

doi:10.1063/1.4921038

Intermediate energy electron impact excitation of composite vibrational modes in phenol

Rafael Coelho Neves, Darryl Jones, M Lopes, Kate Nixon, E de Oliveira, R da Costa, Marcio Varella, Marcio Bettega, Marco Lima, George Barbosa Da Silva, Michael Brunger

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11 Citations (Scopus)

Abstract

We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C₆H₅OH). The measurements were carried out at incident electron energies in the range 15-40 eV and for scattered-electron angles in the range 10-90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C₆H₅OH molecule by electron impact.

Original language	English
Article number	194302
Pages (from-to)	Article: 194302
Number of pages	8
Journal	Journal of Chemical Physics
Volume	142
Issue number	19
DOIs	https://doi.org/10.1063/1.4921038
Publication status	Published - 21 May 2015

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title = "Intermediate energy electron impact excitation of composite vibrational modes in phenol",

abstract = "We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C6H5OH). The measurements were carried out at incident electron energies in the range 15-40 eV and for scattered-electron angles in the range 10-90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C6H5OH molecule by electron impact.",

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AU - Coelho Neves, Rafael

AU - Jones, Darryl

AU - Lopes, M

AU - Nixon, Kate

AU - de Oliveira, E

AU - da Costa, R

AU - Varella, Marcio

AU - Bettega, Marcio

AU - Lima, Marco

AU - Barbosa Da Silva, George

AU - Brunger, Michael

PY - 2015/5/21

Y1 - 2015/5/21

N2 - We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C6H5OH). The measurements were carried out at incident electron energies in the range 15-40 eV and for scattered-electron angles in the range 10-90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C6H5OH molecule by electron impact.

AB - We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C6H5OH). The measurements were carried out at incident electron energies in the range 15-40 eV and for scattered-electron angles in the range 10-90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C6H5OH molecule by electron impact.

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Intermediate energy electron impact excitation of composite vibrational modes in phenol

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