Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2021 Jul 6;12(27):6341–6347. doi: 10.1021/acs.jpclett.1c01447

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

© 2021 The Authors. Published by American Chemical Society

Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).

PMC Copyright notice

TR-EPR on a randomly oriented ensemble of D-χ-A molecules. Parameters: Δg = 0.002, r_DA = 25 Å, hν = 9.8 GHz. (a) and (b) Two-dimensional maps of ⟨S_y(t, B)⟩ for an initial singlet or polarized state, respectively. (c) Field dependence of the absorption TR-EPR spectrum, integrated in the time-window corresponding to the first maxima-minima in the maps of panels (a) and (b), for the states , ρ_p (with either p = −1 or p = 1, leading to the same result in solution). (d) Time dependence around B ≈ 349.5 mT, highlighting the opposite behavior at short times for polarized and unpolarized states. Simulations include relaxation, dephasing, and recombination of the radical pair, with T₁ = 2 μs, T₂ = 0.5 μs, T_R = 10 μs (in the singlet–triplet RP basis, see the Supporting Information), and Gaussian broadening with fwhm = 0.15 mT.³⁶ Inset: schematic energy-level diagram, with states practically corresponding to eigenstates of S_zi. Allowed EPR transitions of D (A) are indicated by blue (purple) dashed lines.

Inline graphic — TR-EPR on a randomly oriented ensemble of D-χ-A molecules. Parameters: Δg = 0.002, r_DA = 25 Å, hν = 9.8 GHz. (a) and (b) Two-dimensional maps of ⟨S_y(t, B)⟩ for an initial singlet or polarized state, respectively. (c) Field dependence of the absorption TR-EPR spectrum, integrated in the time-window corresponding to the first maxima-minima in the maps of panels (a) and (b), for the states , ρ_p (with either p = −1 or p = 1, leading to the same result in solution). (d) Time dependence around B ≈ 349.5 mT, highlighting the opposite behavior at short times for polarized and unpolarized states. Simulations include relaxation, dephasing, and recombination of the radical pair, with T₁ = 2 μs, T₂ = 0.5 μs, T_R = 10 μs (in the singlet–triplet RP basis, see the Supporting Information), and Gaussian broadening with fwhm = 0.15 mT.³⁶ Inset: schematic energy-level diagram, with states practically corresponding to eigenstates of S_zi. Allowed EPR transitions of D (A) are indicated by blue (purple) dashed lines.