Understanding the competing pathways leading to hydropyrene and isoelisabethatriene

HIGHLIGHTS

  • who: Shani Zev and colleagues from the Advanced Materials, Bar-Ilan University, Ramat-Gan, Israel, Aarhus C, Denmark have published the paper: Understanding the competing pathways leading to hydropyrene and isoelisabethatriene, in the Journal: (JOURNAL)
  • what: The authors show that there is a great thermodynamic preference for hydropyrene and hydropyrenol formation and hence most likely in the synthesis of the isoelisabethatriene products kinetic control is at play. The authors focus on the mechanistic details of the HP and IE pathways using computational methods in the gas phase.

SUMMARY

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