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Laser control of proton motion in porphyrin derivative
Author(s) -
Nishikawa K.,
Ito T.,
Sugimori K.,
Ohta Y.,
Nagao H.
Publication year - 2005
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.20443
Subject(s) - stimulated raman adiabatic passage , chemistry , proton , picosecond , atomic physics , porphyrin , adiabatic process , derivative (finance) , potential energy surface , conformational isomerism , density functional theory , laser , molecular physics , potential energy , photochemistry , physics , computational chemistry , molecule , quantum mechanics , organic chemistry , financial economics , economics
A sequential stimulated Raman adiabatic passage (STIRAP) approach is applied to the laser control of internal double proton transfer of a porphyrin derivative. The potential energy surfaces describing the motion of the two protons are evaluated from the density functional theory (DFT) calculation; the minimum‐energy conformers obtained are classified as the trans ‐ and cis ‐forms. It is shown that the STIRAP pulse sequence induces the transition from the most stable trans ‐form to the other trans ‐form via the cis ‐intermediate state on the picosecond time scale. The influence of laser intensity on the STIRAP process of the double proton transfer is discussed. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
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