Direct observation of breaking of the intramolecular H-bond, and slowing down of the proton motion and tuning its mechanism in an HBO derivative.

@article{Alarcos2015DirectOO,
  title={Direct observation of breaking of the intramolecular H-bond, and slowing down of the proton motion and tuning its mechanism in an HBO derivative.},
  author={Noem{\'i} Alarcos and Mario Gutierrez and Marta Liras and Felix Escolano S{\'a}nchez and Miquel Moreno and Abderrazzak Douhal},
  journal={Physical chemistry chemical physics : PCCP},
  year={2015},
  volume={17 22},
  pages={14569-81}
}
We report on spectroscopic and photodynamical behaviours of 5-amino-2-(2'-hydroxyphenyl)benzoxazole (5A-HBO) in different solutions. The dye undergoes an ultrafast ICT reaction (<50 fs) (comparable to that observed for its methylated derivative, 5A-MBO), in agreement with the results of TD-DFT theoretical calculations (gas phase). Depending on the used solvent, the ICT reaction can be followed by a reversible/irreversible excited-state intramolecular proton transfer (ESIPT) reaction or by… CONTINUE READING