On the biradicaloid nature of long quinoidal oligothiophenes: Experimental evidence guided by theoretical studies

Rocío Ponce Ortiz, Juan Casado, Víctor Hernández, Juan T. López Navarrete, Pedro M. Viruela, Enrique Ortí, Kazuo Takimiya, Tetsuo Otsubo

Research output: Contribution to journalArticle

106 Citations (Scopus)

Abstract

(Chemical Equation Presented) Raman spectroscopy in conjunction with quantum chemistry allows efficient inspection of the electronic and structural properties of biradicals. Investigations on a series of quinoidal oligothiophenes uncover a thermal equilibrium between singlet and triplet biradical states (see picture) for the longest of the investigated systems.

Original languageEnglish
Pages (from-to)9057-9061
Number of pages5
JournalAngewandte Chemie - International Edition
Volume46
Issue number47
DOIs
Publication statusPublished - 2007 Dec 14
Externally publishedYes

Keywords

  • Biradicals
  • Density functional calculations
  • Oligothiophenes
  • Raman spectroscopy
  • Triplet excited states

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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  • Cite this

    Ponce Ortiz, R., Casado, J., Hernández, V., López Navarrete, J. T., Viruela, P. M., Ortí, E., Takimiya, K., & Otsubo, T. (2007). On the biradicaloid nature of long quinoidal oligothiophenes: Experimental evidence guided by theoretical studies. Angewandte Chemie - International Edition, 46(47), 9057-9061. https://doi.org/10.1002/anie.200703244