Rotation-Inversion Isomerization of Tertiary Carbamates: Potential Energy Surface Analysis of Multi-Paths Isomerization Using Boltzmann Statistics

Chemphyschem. 2023 Jan 3;24(1):e202200893. doi: 10.1002/cphc.202200893.

Abstract

The front cover artwork is provided by Prof. Rainer Glaser's group at the Missouri University of Science and Technology. The image shows one of four potential energy surfaces generated from our rotation-inversion study of tertiary carbamates and highlights two of the eight possible transition state pathways between two ensembles of E- and Z-minima. In the context of synthetic studies of fluorinated carbamates R1 O-CO-N(R2 )CH2 CF3 , we unexpectedly observed two sets of 13 C NMR quartets for the CF3 group and we needed to understand their origin. Read the full text of the Research Article at 10.1002/cphc.2022005442.

MeSH terms

  • Carbamates*
  • Isomerism
  • Magnetic Resonance Spectroscopy / methods
  • Rotation

Substances

  • Carbamates