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Anisotropic and Coherent Control of Radical Pairs by Optimized RF Fields.

Akihiro TatenoKenta MasuzawaHiroki NagashimaKiminori Maeda
Published in: International journal of molecular sciences (2023)
Radical pair kinetics is determined by the coherent and incoherent spin dynamics of spin pair and spin-selective chemical reactions. In a previous paper, reaction control and nuclear spin state selection by designed radiofrequency (RF) magnetic resonance was proposed. Here, we present two novel types of reaction control calculated by the local optimization method. One is anisotropic reaction control and the other is coherent path control. In both cases, the weighting parameters for the target states play an important role in the optimizing of the RF field. In the anisotropic control of radical pairs, the weighting parameters play an important role in the selection of the sub-ensemble. In coherent control, one can set the parameters for the intermediate states, and it is possible to specify the path to reach a final state by adjusting the weighting parameters. The global optimization of the weighting parameters for coherent control has been studied. These manifest calculations show the possibility of controlling the chemical reactions of radical pair intermediates in different ways.
Keyphrases
  • magnetic resonance
  • density functional theory
  • single molecule
  • magnetic resonance imaging
  • machine learning
  • contrast enhanced
  • convolutional neural network