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Zwitterionic nido-Carborane-Fused Phospholes.

Guanyu TaoZheng DuanFrançois Mathey
Published in: Organic letters (2019)
Using readily available and easy-to-handle reagents, a novel type of nido-carborane-fused phosphole was obtained from a simple procedure. Its crystallographic structure was determined, and DFT calculations have been performed, unraveling the key influence of the zwitterionic structure on the photophysical properties.
Keyphrases
  • density functional theory
  • molecular dynamics
  • minimally invasive
  • molecular docking
  • monte carlo
  • crystal structure