Assignment of photoelectron spectra of the acenes with the help of modified CNDO/S calculations

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29 Citations (Scopus)

Abstract

The CNDO/S method was modified to yield results in agreement with UPS and Penning ionization electron spectroscopy experiments. With the help of the calculations we propose a number of new assignments of the σ bands for some of the acenes.

Original languageEnglish
Pages (from-to)325-329
Number of pages5
JournalChemical Physics Letters
Volume88
Issue number3
DOIs
Publication statusPublished - May 7 1982

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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