The electronic spectrum of chloroformic acid in comparison to formic acid.

@article{GruberStadler2006TheES,
  title={The electronic spectrum of chloroformic acid in comparison to formic acid.},
  author={Margret Gruber-Stadler and Max M{\"u}hlh{\"a}user and Claus J\orgen Nielsen},
  journal={The journal of physical chemistry. A},
  year={2006},
  volume={110 18},
  pages={6157-63}
}
The electronic spectra of chloroformic acid ClCOOH and formic acid HCOOH are computed in large-scale multireference configuration interaction (MRD-CI) calculations. The computed spectrum of formic acid is in reasonable agreement with prior calculations and experimental data. The first electronic transition of ClCOOH is computed at 6.41 eV (193.4 nm), about… CONTINUE READING