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Persistent Organic High-Spin Trinitrenes.

Enrique Mendez-VegaJoel Mieres PerezSergei V ChapyshevWolfram Sander
Published in: Angewandte Chemie (International ed. in English) (2019)
The septet ground state trinitrenes 1,3,5-trichloro-2,4,6-trinitrenobenzene and 1,3,5-tribromo-2,4,6-trinitrenobenzene were isolated in inert (Ar, Ne, and Xe) as well as reactive matrices (H2 , O2 , and H2 O) at cryogenic temperatures. These trinitrenes were obtained in high yields by UV photolysis of the corresponding triazides and characterized by IR and UV/Vis spectroscopy. The trinitrenes, despite bearing six unpaired electrons, are remarkably unreactive towards molecular oxygen and hydrogen and are persistent in water ice up to 160 K where the water matrix starts to sublime off.
Keyphrases
  • single molecule
  • high resolution
  • density functional theory
  • water soluble
  • solid state