A DFT study of the vibrational spectra of 1-, and 2-nitrotriphenylene

Kefa K. Onchoke, Matthew E. Parks, Amanda H. Nolan

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)579-587
Number of pages9
JournalSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Issue number2
StatePublished - Oct 1 2009

ASJC Scopus Subject Areas

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


  • 1-, and 2-nitrotriphenylenes
  • Asymmetric/symmetric nitro group frequencies
  • Density functional theory
  • Infrared
  • Mutagenicity
  • Nitro group orientation

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