Vibronic and cation spectroscopy of 2,4-difluoroaniline

Wei Chih Huang, Po Sheng Huang, Ching-Han Hu, Wen Bih Tzeng

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

We applied the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic and cation spectra of 2,4-difluoroaniline. The cation spectra were recorded by ionizing via the 0 0, X 1, 6b 1, and 1 1 levels of the electronically excited S 1 state. Most of the observed active modes of this molecule in the S 1 and cationic ground D 0 states are related to the in-plane ring deformation vibrations. The band origin of the S 1 ← S 0 electronic excitation was found to appear at 33 294 ± 2 cm -1, whereas the adiabatic ionization energy was determined to be 63 935 ± 5 cm -1. Comparing the data of 2,4-difluoroaniline with those of aniline, 2-fluoroaniline, and 4-fluoroaniline, one can learn the effects of fluorine substitution on the electronic transition and molecular vibration.

Original languageEnglish
Pages (from-to)176-179
Number of pages4
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume93
DOIs
Publication statusPublished - 2012 Jul 1

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Ionization
Cations
Positive ions
Spectroscopy
Molecular vibrations
cations
ionization
Fluorine
Ionization potential
Aniline
spectroscopy
vibration
Substitution reactions
Photons
aniline
Color
electronics
Molecules
fluorine
substitutes

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

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abstract = "We applied the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic and cation spectra of 2,4-difluoroaniline. The cation spectra were recorded by ionizing via the 0 0, X 1, 6b 1, and 1 1 levels of the electronically excited S 1 state. Most of the observed active modes of this molecule in the S 1 and cationic ground D 0 states are related to the in-plane ring deformation vibrations. The band origin of the S 1 ← S 0 electronic excitation was found to appear at 33 294 ± 2 cm -1, whereas the adiabatic ionization energy was determined to be 63 935 ± 5 cm -1. Comparing the data of 2,4-difluoroaniline with those of aniline, 2-fluoroaniline, and 4-fluoroaniline, one can learn the effects of fluorine substitution on the electronic transition and molecular vibration.",
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Vibronic and cation spectroscopy of 2,4-difluoroaniline. / Huang, Wei Chih; Huang, Po Sheng; Hu, Ching-Han; Tzeng, Wen Bih.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 93, 01.07.2012, p. 176-179.

Research output: Contribution to journalArticle

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AB - We applied the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques to record the vibronic and cation spectra of 2,4-difluoroaniline. The cation spectra were recorded by ionizing via the 0 0, X 1, 6b 1, and 1 1 levels of the electronically excited S 1 state. Most of the observed active modes of this molecule in the S 1 and cationic ground D 0 states are related to the in-plane ring deformation vibrations. The band origin of the S 1 ← S 0 electronic excitation was found to appear at 33 294 ± 2 cm -1, whereas the adiabatic ionization energy was determined to be 63 935 ± 5 cm -1. Comparing the data of 2,4-difluoroaniline with those of aniline, 2-fluoroaniline, and 4-fluoroaniline, one can learn the effects of fluorine substitution on the electronic transition and molecular vibration.

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