A practical approach to calculate the time evolutions of magnetic field effects on photochemical reactions in nano-structured materials

Physical Chemistry Chemical Physics : PCCP
Tomoaki Yago, Masanobu Wakasa

Abstract

A practical method to calculate time evolutions of magnetic field effects (MFEs) on photochemical reactions involving radical pairs is developed on the basis of the theory of the chemically induced dynamic spin polarization proposed by Pedersen and Freed. In theory, the stochastic Liouville equation (SLE), including the spin Hamiltonian, diffusion motions of the radical pair, chemical reactions, and spin relaxations, is solved by using the Laplace and the inverse Laplace transformation technique. In our practical approach, time evolutions of the MFEs are successfully calculated by applying the Miller-Guy method instead of the final value theorem to the inverse Laplace transformation process. Especially, the SLE calculations are completed in a short time when the radical pair dynamics can be described by the chemical kinetics consisting of diffusions, reactions and spin relaxations. The SLE analysis with a short calculation time enables one to examine the various parameter sets for fitting the experimental date. Our study demonstrates that simultaneous fitting of the time evolution of the MFE and of the magnetic field dependence of the MFE provides valuable information on the diffusion motions of the radical pairs in nano-struct...Continue Reading

References

Jul 15, 2006·The Journal of Physical Chemistry. a·Anthony R O'DeaP J Hore
Jul 31, 2007·The Journal of Physical Chemistry. B·Masanobu Wakasa
Feb 27, 2008·The Journal of Physical Chemistry. B·Atom HamasakiMasanobu Wakasa
Oct 23, 2008·The Journal of Physical Chemistry. B·Atom HamasakiMasanobu Wakasa
Jul 17, 2009·The Journal of Physical Chemistry. B·Masanobu WakasaAtom Hamasaki
Jan 21, 2010·Journal of the American Chemical Society·Kiminori MaedaChristiane R Timmel
Feb 7, 2012·Physical Chemistry Chemical Physics : PCCP·Tomohide OkadaMasanobu Wakasa

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