Electronically excited states and photochemical reaction mechanisms of β-glucose.

  title={Electronically excited states and photochemical reaction mechanisms of β-glucose.},
  author={Deniz Tuna and Andrzej L Sobolewski and Wolfgang Domcke},
  journal={Physical chemistry chemical physics : PCCP},
  volume={16 1},
Carbohydrates are important molecular components of living matter. While spectroscopic and computational studies have been performed on carbohydrates in the electronic ground state, the lack of a chromophore complicates the elucidation of the excited-state properties and the photochemistry of this class of compounds. Herein, we report on the first computational investigation of the singlet photochemistry of β-glucose. It is shown that low-lying singlet excited states are of nσ* nature. Our… CONTINUE READING

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