Trapping of 1,2-cyclohexadiene: A DFT mechanistic study on the reaction of 1,2-cyclohexadiene with olefins and nitrones.

@article{Boafo2018TrappingO1,
  title={Trapping of 1,2-cyclohexadiene: A DFT mechanistic study on the reaction of 1,2-cyclohexadiene with olefins and nitrones.},
  author={Emmanuel Amoah Boafo and Kwabena Darko and Bright Aryeh Afriyie and Richard Tia and Evans Adei},
  journal={Journal of molecular graphics & modelling},
  year={2018},
  volume={81},
  pages={1-13}
}
The mechanistic aspects of cycloaddition reactions of 1,2-cyclohexadiene with olefins and nitrones have been investigated with DFT calculations. The results show that the cycloaddition reactions of 1,2-cyclohexadiene with olefins do not go through a concerted pathway (one-step mechanism) but rather a stepwise one involving the formation of a biradical… CONTINUE READING