Understanding the regioselectivity and the molecular mechanism of [3 + 2] cycloaddition reactions between nitrous oxide and conjugated nitroalkenes: a dft computational study

HIGHLIGHTS

• who: Ewa Dresler et al. from the 7, Ku02dbedzierzyn-Kozu0301le, Poland Institute of Organic Chemistry and Technology, Cracow University of Technology, Warszawska , have published the paper: Understanding the Regioselectivity and the Molecular Mechanism of [3 + 2] Cycloaddition Reactions between Nitrous Oxide and Conjugated Nitroalkenes: A DFT Computational Study, in the Journal: Molecules 2022, 27, 8441. of /2022/
• what: Our computational wb97xd/6-311 + G(d) (PCM) study shed light on the probable regioselectivity as well as the molecular mechanisms of [3 + 2] cycloaddition processes with the participation of nitrous oxide as a TAC, along with . . .
  

   

  

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