IR absorption spectra of aniline cation, anilino radical, and phenylnitrene isolated in solid argon

Shu Yu Lin, Sheng Lung Chou, Chien Ming Tseng, Yu Jong Wu*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

Electron bombardment of aniline (PhNH2) in an Ar matrix mainly generated the aniline cation (PhNH2+), anilino (PhNH) and phenyl (Ph) radicals, and phenylnitrene (PhN). Further irradiation of the electron-bombarded matrix sample at 365 nm depleted PhNH2+ and PhN, and resulted in the formation of PhNH2, PhNH, and Ph. In separate experiments, irradiation of the PhNH2/Ar matrix samples at 265 or 160 nm mainly generated PhNH and Ph radicals, but without the formation of PhNH2+ and PhN. According to the observed photochemical behaviors, quantum-chemically predicted harmonic vibrational wavenumbers of each species, and the information reported in previous photodissociation studies, we unambiguously characterized the IR features of the aromatic species. The information of the vibrational fundamentals of PhNH is new and the formation mechanism is discussed.

Original languageEnglish
Article number121233
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume276
DOIs
StatePublished - 5 Aug 2022

Keywords

  • Aniline
  • Electron bombardment
  • Isomerization
  • Photodissociation
  • Quantum chemical calculation

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