The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.

@article{Vallllosera2008TheC1,
  title={The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase.},
  author={Gemma Vall-llosera and Bin Gao and Antti Kivim{\"a}ki and Marcello Coreno and J Alvarez Ruiz and Monica de Simone and Hans {\AA}gren and Elisabeth Rachlew},
  journal={The Journal of chemical physics},
  year={2008},
  volume={128 4},
  pages={044316}
}
Near edge x-ray absorption fine structure spectra have been measured and interpreted by means of density functional theory for five different azabenzenes (pyridine, pyridazine, pyrimidine, pyrazine, and s-triazine) in the gas phase. The experimental and theoretical spectra at the N 1s and C 1s edges show a strong resonance assigned to the transition of the 1s electron in the respective N or C atoms to the lowest unoccupied molecular orbital with pi(*) symmetry. As opposed to the N 1s edge, at… CONTINUE READING

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