Why does Togni's reagent I exist in the high-energy hypervalent iodine form? Re-evaluation of benziodoxole based hypervalent iodine reagents

Affiliations

• ¹ Lab of Computational Chemistry and Drug Design, Key Laboratory of Chemical Genomics, Peking University Shenzhen Graduate School, Shenzhen 518055, China. [email protected] and Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA. [email protected].
• ² Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA. [email protected].
• ³ Lab of Computational Chemistry and Drug Design, Key Laboratory of Chemical Genomics, Peking University Shenzhen Graduate School, Shenzhen 518055, China. [email protected].
• ⁴ Lab of Computational Chemistry and Drug Design, Key Laboratory of Chemical Genomics, Peking University Shenzhen Graduate School, Shenzhen 518055, China. [email protected] and College of Chemistry, Peking University, Beijing 100871, China.