Heavy‐Atom Tunneling Through Crossing Potential Energy Surfaces: Cyclization of a Triplet 2‐Formylarylnitrene to a Singlet 2,1‐Benzisoxazole

Not long ago, the occurrence of quantum mechanical tunneling (QMT) chemistry involving atoms heavier than hydrogen was considered unreasonable. Contributing to the shift of this paradigm, we present here the discovery of a new and distinct heavy‐atom QMT reaction. Triplet syn‐2‐formyl‐3‐fluorophenyl...

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Veröffentlicht in:	Angewandte Chemie International Edition 2020-09, Vol.59 (40), p.17622-17627
Hauptverfasser:	Nunes, Cláudio M., Viegas, Luís P., Wood, Samuel A., Roque, José P. L., McMahon, Robert J., Fausto, Rui
Format:	Artikel
Sprache:	eng
Schlagworte:	Argon Computer applications heavy-atom tunneling Infrared spectroscopy IR spectroscopy Irradiation matrix isolation nitrenes non-adiabatic transition state theory Potential energy Quantum mechanics Rate constants Ultraviolet radiation
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