Calculated infrared spectra of unstable organic molecules and reactive intermediates

@inproceedings{Hess1995CalculatedIS,
  title={Calculated infrared spectra of unstable organic molecules and reactive intermediates},
  author={Jr. B. Andes Hess and Lidia Smentek},
  year={1995}
}
The use of calculated IR spectra (ab initio) in the identification of highly reactive organic molecules and intermediates has proven to be a very useful tool to the experimental synthetic organic chemist. The results of recent collaborations between the authors and experimental groups are presented. These include the identification of o-benzyne, cyclopentadienylideneketene, and trimethylenemethane prepared photochemically in low-temperature matrices. In the first two examples, it is shown how… CONTINUE READING