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- W4309924743 abstract "Laser-induced magnetic dipole spectroscopy (LaserIMD) and light-induced double electron-electron resonance spectroscopy (LiDEER) are important techniques in the emerging field of light-induced pulsed dipolar EPR spectroscopy (light-induced PDS). These techniques use the photoexcitation of a chromophore to the triplet state and measure its dipolar coupling to a neighboring electron spin, which allows the determination of distance restraints. LaserIMD and LiDEER were so far analyzed with software tools that were developed for a pair of two S = 1/2 spins and neglect the zero-field splitting interaction (ZFS) of the excited triplet. Here, we show that the ZFS cannot be neglected in light-induced PDS, as it has an effect on the shape of the dipolar trace. For a detailed understanding of the effect of the ZFS, a theoretical description for LaserIMD and LiDEER is derived, taking into account the non-secular terms of the ZFS. Simulations based on this model show that the ZFS leads to an additional decay in the dipolar trace in LaserIMD. This effect is not so pronounced in Q-band but can be quite noticeable for lower magnetic fields like in X-band. Experimentally recorded LiDEER and LaserIMD data confirm these findings and show that the ZFS is an important parameter that needs to be considered for the accurate description of light-induced PDS." @default.
- W4309924743 created "2022-11-30" @default.
- W4309924743 creator A5013565453 @default.
- W4309924743 date "2022-11-24" @default.
- W4309924743 modified "2023-10-18" @default.
- W4309924743 title "Comment on mr-2022-20" @default.
- W4309924743 doi "https://doi.org/10.5194/mr-2022-20-rc1" @default.
- W4309924743 hasPublicationYear "2022" @default.
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