State-Selective Excitation of the CO Stretch in Carboxyhemoglobin by Mid-IR Laser Pulse Shaping: A Theoretical Investigation - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry A Année : 2013

State-Selective Excitation of the CO Stretch in Carboxyhemoglobin by Mid-IR Laser Pulse Shaping: A Theoretical Investigation

Résumé

We present simulations of the excitation of specific vibrational levels of the CO stretch in carboxyhemoglobin by shaped mid-IR laser pulses. The pulses are calculated using local control theory, adapted to account for the protein fluctuations, which are included using a microscopic model developed previously. We show that efficient selective vibrational state preparation can be obtained, despite the presence of the fluctuations and orientational averaging, and can be monitored using transient absorption spectra. The mid-IR pulses are found to be in a realistic intensity regime and might soon be available by IR pulse shaping. This opens the way to a direct monitoring of vibrational relaxation from individually prepared, high-lying vibrational states of complex systems.
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Dates et versions

hal-00936648 , version 1 (27-01-2014)

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Arunangshu Debnath, Cyril Falvo, Christoph Meier. State-Selective Excitation of the CO Stretch in Carboxyhemoglobin by Mid-IR Laser Pulse Shaping: A Theoretical Investigation. Journal of Physical Chemistry A, 2013, 117 (48), pp.12884-12888. ⟨10.1021/jp410473u⟩. ⟨hal-00936648⟩
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