Electronically excited states of protonated aromatic molecules: benzaldehyde.

I. Alata (1, 2) , R. Omidyan (1, 3) , C. Dedonder-Lardeux (1, 4) , M. Broquier (1, 4) , C. Jouvet (1, 4)

1 CLUPS - Centre Laser de l'Université Paris Sud
2 AECS - Atomic Energy Commission of Syria
3 Department of Chemistry
4 PPM - Laboratoire de Photophysique Moléculaire

The photofragmentation spectrum of protonated benzaldehyde has been recorded in the 435-385 nm wavelength range. The first excited state is a pipi* state, strongly red shifted compared to the pipi* state of neutral benzaldehyde. The spectrum presents well resolved vibronic bands in contrast to some other protonated aromatic molecules like benzene or tryptophan in which the excited state dynamics is so fast that no vibrational structure can be observed. The bands can be assigned on the basis of a Franck-Condon analysis using ground and excited state frequencies calculated at the CC2/TZVP level.

Domaines: Chimie théorique et/ou physique

I. Alata, R. Omidyan, C. Dedonder-Lardeux, M. Broquier, C. Jouvet. Electronically excited states of protonated aromatic molecules: benzaldehyde.. Physical Chemistry Chemical Physics, 2009, 11 (48), pp.11479-86. ⟨10.1039/b913422k⟩. ⟨hal-00915284⟩