A time-dependent picture of the ultrafast deactivation of keto-cytosine including three-state conical intersections

Jesús González-Vázquez, Leticia González
Chemphyschem: a European Journal of Chemical Physics and Physical Chemistry 2010 December 3, 11 (17): 3617-24
Using mixed quantum-classical dynamics, the lowest part of the UV absorption spectrum and the first deactivation steps of keto-cytosine have been investigated. The spectrum shows several strong peaks, which mainly come from the S(1) and S(2) states, with minor contributions from the S(3). The semiclassical trajectories, launched from these three states, clearly indicate that at least four states are involved in the relaxation of keto-cytosine to the ground state. Non-adiabatic transfer between the ππ* and nπ* excited states and deactivation via three-state conical intersections is observed in the very early stage of the dynamics. In less than 100 fs, a large amount of population is deactivated to the ground state via several mechanisms; some population remains trapped in the S(2) state. The latter two events can be connected to the fs and ps transients observed experimentally.

Full Text Links

Find Full Text Links for this Article


You are not logged in. Sign Up or Log In to join the discussion.

Related Papers

Remove bar
Read by QxMD icon Read

Save your favorite articles in one place with a free QxMD account.


Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"