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Tuning ground states of Bis(triarylamine) Dications: from a closed-shell singlet to a diradicaloid with an excited triplet state

Journal Article


Abstract


  • Three bis(triarylamine) dications were isolated by using weakly coordinating anions. Their electronic structures in the ground state were investigated by various experiments in conjunction with theoretical calculations. The ground-state electronic structures of these species were tunable by substituent effects, with two of them as closed-shell singlets and one of them as an open-shell singlet in the solid state. The excited state of the latter is thermally accessible, indicated by EPR and SQUID measurements. The work provides a new and stable diradicaloid structure motif with an excited triplet sate. Getting excited: The ground-state electronic structures of three bis(triarylamine) dications (R=H, Me, OMe), which were isolated using weakly coordinating anions and investigated experimentally and theoretically, were tunable by substituent effects. The work provides a new and stable diradicaloid structure motif with an excited triplet state. CS=closed-shell singlet, OS=open-shell singlet, T=excited triplet.

Authors


  •   Su, Yuanting (external author)
  •   Wang, Xingyong
  •   Zheng, Xin (external author)
  •   Zhang, Zaichao (external author)
  •   Song, You (external author)
  •   Sui, Yunxia (external author)
  •   Li, Yizhi (external author)
  •   Wang, Xinping (external author)

Publication Date


  • 2014

Geographic Focus


Citation


  • Su, Y., Wang, X., Zheng, X., Zhang, Z., Song, Y., Sui, Y., Li, Y. & Wang, X. (2014). Tuning ground states of Bis(triarylamine) Dications: from a closed-shell singlet to a diradicaloid with an excited triplet state. Angewandte Chemie International Edition, 53 (11), 2857-2861.

Scopus Eid


  • 2-s2.0-84896792971

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/3917

Has Global Citation Frequency


Number Of Pages


  • 4

Start Page


  • 2857

End Page


  • 2861

Volume


  • 53

Issue


  • 11

Place Of Publication


  • Germany

Abstract


  • Three bis(triarylamine) dications were isolated by using weakly coordinating anions. Their electronic structures in the ground state were investigated by various experiments in conjunction with theoretical calculations. The ground-state electronic structures of these species were tunable by substituent effects, with two of them as closed-shell singlets and one of them as an open-shell singlet in the solid state. The excited state of the latter is thermally accessible, indicated by EPR and SQUID measurements. The work provides a new and stable diradicaloid structure motif with an excited triplet sate. Getting excited: The ground-state electronic structures of three bis(triarylamine) dications (R=H, Me, OMe), which were isolated using weakly coordinating anions and investigated experimentally and theoretically, were tunable by substituent effects. The work provides a new and stable diradicaloid structure motif with an excited triplet state. CS=closed-shell singlet, OS=open-shell singlet, T=excited triplet.

Authors


  •   Su, Yuanting (external author)
  •   Wang, Xingyong
  •   Zheng, Xin (external author)
  •   Zhang, Zaichao (external author)
  •   Song, You (external author)
  •   Sui, Yunxia (external author)
  •   Li, Yizhi (external author)
  •   Wang, Xinping (external author)

Publication Date


  • 2014

Geographic Focus


Citation


  • Su, Y., Wang, X., Zheng, X., Zhang, Z., Song, Y., Sui, Y., Li, Y. & Wang, X. (2014). Tuning ground states of Bis(triarylamine) Dications: from a closed-shell singlet to a diradicaloid with an excited triplet state. Angewandte Chemie International Edition, 53 (11), 2857-2861.

Scopus Eid


  • 2-s2.0-84896792971

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/3917

Has Global Citation Frequency


Number Of Pages


  • 4

Start Page


  • 2857

End Page


  • 2861

Volume


  • 53

Issue


  • 11

Place Of Publication


  • Germany