Formation of the cyclo-Pentazolate N5- Anion by High-Energy Dissociation of Phenylpentazole Anions

  title={Formation of the cyclo-Pentazolate N5- Anion by High-Energy Dissociation of Phenylpentazole Anions},
  author={Leonid Belau and Yehuda Haas and Shmuel Zilberg},
  journal={Journal of Physical Chemistry A},
The recent successful preparation of the cyclo-pentazolate N 5 - anion (cyclo-N 5 - ) by the dissociation of the p-pentazolylphenolate anion using high-energy collisions is accounted for by considering the electronic structure of the system. It is shown that a symmetry-allowed conical intersection is involved, leading directly from an electronically excited state of the precursor to ground-state cyclo-N 5 - . The presence of the conical intersection is manifested by the structure of the thermal… 

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