MCD spectroscopy and TD-DFT calculations of low-symmetry acenaphthoporphyrins with dual fluorescence

John Mack, Jun Nakamura, Tetsuo Okujima, Hiroko Yamada, Hidemitsu Uno, Nagao Kobayashi

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

Magnetic circular dichroism (MCD) spectroscopy and TD-DFT calculations are used to analyze the electronic structure and optical properties of low-symmetry acenaphthoporphyrins with AAAB, ABAB and AABB structures. Evidence for dual fluorescence caused by tautomerism has been identified in the emission spectra of the AAAB and ABAB compounds. The sign sequences observed for the Q and B bands in the MCD spectra have been used to validate the results of the TD-DFT calculations. An anomalous +/- sign sequence is observed in the B band region with ascending energy similar to that reported previously for metal tetraphenyltetraacenaphthoporphyrin complexes.

Original languageEnglish
Pages (from-to)996-1007
Number of pages12
JournalJournal of Porphyrins and Phthalocyanines
Volume17
Issue number10
DOIs
Publication statusPublished - 2013 Oct

Keywords

  • MCD spectrocopy
  • TD-DFT calculations
  • acenaphthoporphyrins
  • fluorescence spectroscopy

ASJC Scopus subject areas

  • Chemistry(all)

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