Login / Signup

Cis - trans isomerization of dimethyl 2,3-dibromofumarate.

Timothy H VoRafał KorlackiAlexander Sinitskii
Published in: RSC advances (2022)
The isomerization of dimethyl 2,3-dibromofumarate in chloroform solutions was investigated by the combination of nuclear magnetic resonance (NMR) and density functional theory (DFT) calculations. The bromination of dimethyl acetylenedicarboxylate leading to dimethyl 2,3-dibromofumarate produces the trans isomer initially, which however converts into the more stable cis isomer. The conversion from trans to cis is spontaneous and greatly accelerated by light.
Keyphrases
  • density functional theory
  • magnetic resonance
  • molecular dynamics
  • mass spectrometry
  • atomic force microscopy
  • single molecule