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Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions

Journal Article


Abstract


  • Two phosphorus-containing four-membered ring radical cations 1 •+ and 2•+ have been isolated and characterized by UV-vis absorption spectroscopy, electron paramagnetic resonance (EPR), and single-crystal X-ray diffraction. Compared with neutral molecules 1 and 2, radical 1•+ has elongated P-P bonds and more pyramidalized phosphorus atoms, while shortened P-Nring distances and larger angles around phosphorus centers are observed for 2•+. EPR studies indicate that for 1•+ spin density mainly resides on the exocyclic nitrogen atoms with very minor contribution from endocyclic phosphorus atoms, while the situation is opposite for 2•+. Such an inverse spin density distribution is controlled by the exocyclic substituents, which is supported by DFT calculations.

Authors


  •   Su, Yuanting (external author)
  •   Zheng, Xin (external author)
  •   Wang, Xingyong
  •   Zhang, Xuan (external author)
  •   Sui, Yunxia (external author)
  •   Wang, Xinping (external author)

Publication Date


  • 2014

Geographic Focus


Citation


  • Su, Y., Zheng, X., Wang, X., Zhang, X., Sui, Y. & Wang, X. (2014). Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions. Journal of the American Chemical Society, 136 (17), 6251-6254.

Scopus Eid


  • 2-s2.0-84899736869

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/3916

Has Global Citation Frequency


Number Of Pages


  • 3

Start Page


  • 6251

End Page


  • 6254

Volume


  • 136

Issue


  • 17

Place Of Publication


  • United States

Abstract


  • Two phosphorus-containing four-membered ring radical cations 1 •+ and 2•+ have been isolated and characterized by UV-vis absorption spectroscopy, electron paramagnetic resonance (EPR), and single-crystal X-ray diffraction. Compared with neutral molecules 1 and 2, radical 1•+ has elongated P-P bonds and more pyramidalized phosphorus atoms, while shortened P-Nring distances and larger angles around phosphorus centers are observed for 2•+. EPR studies indicate that for 1•+ spin density mainly resides on the exocyclic nitrogen atoms with very minor contribution from endocyclic phosphorus atoms, while the situation is opposite for 2•+. Such an inverse spin density distribution is controlled by the exocyclic substituents, which is supported by DFT calculations.

Authors


  •   Su, Yuanting (external author)
  •   Zheng, Xin (external author)
  •   Wang, Xingyong
  •   Zhang, Xuan (external author)
  •   Sui, Yunxia (external author)
  •   Wang, Xinping (external author)

Publication Date


  • 2014

Geographic Focus


Citation


  • Su, Y., Zheng, X., Wang, X., Zhang, X., Sui, Y. & Wang, X. (2014). Two stable phosphorus-containing four-membered ring radical cations with inverse spin density distributions. Journal of the American Chemical Society, 136 (17), 6251-6254.

Scopus Eid


  • 2-s2.0-84899736869

Ro Metadata Url


  • http://ro.uow.edu.au/smhpapers/3916

Has Global Citation Frequency


Number Of Pages


  • 3

Start Page


  • 6251

End Page


  • 6254

Volume


  • 136

Issue


  • 17

Place Of Publication


  • United States