Spin Orbit Coupling in Orthogonal Charge Transfer States
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  • Release Date: 2022-03-25
  • triplet formation
  • charge recombination
  • charge separation
  • intersystem crossing
Video Introduction

This video is adapted from 10.3390/molecules27030891

The conformational dependence of the matrix element for spin–orbit coupling and of the electronic coupling for charge separation are determined for an electron donor–acceptor system containing a pyrene acceptor and a dimethylaniline donor. Different kinetic and energetic aspects that play a role in the spin–orbit charge transfer intersystem crossing (SOCT-ISC) mechanism are discussed. This includes parameters related to initial charge separation and the charge recombination pathways using the Classical Marcus Theory of electron transfer. The spin–orbit coupling, which plays a significant role in charge recombination to the triplet state, can be probed by (TD)-DFT, using the latter as a tool to understand and predict the SOCT-ISC mechanism.

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Williams, R.; Bissesar, S.; Van Raamsdonk, D. Spin Orbit Coupling in Orthogonal Charge Transfer States. Encyclopedia. Available online: https://encyclopedia.pub/video/video_detail/253 (accessed on 24 April 2024).
Williams R, Bissesar S, Van Raamsdonk D. Spin Orbit Coupling in Orthogonal Charge Transfer States. Encyclopedia. Available at: https://encyclopedia.pub/video/video_detail/253. Accessed April 24, 2024.
Williams, René, Shivan Bissesar, Davita Van Raamsdonk. "Spin Orbit Coupling in Orthogonal Charge Transfer States" Encyclopedia, https://encyclopedia.pub/video/video_detail/253 (accessed April 24, 2024).
Williams, R., Bissesar, S., & Van Raamsdonk, D. (2022, March 25). Spin Orbit Coupling in Orthogonal Charge Transfer States. In Encyclopedia. https://encyclopedia.pub/video/video_detail/253
Williams, René, et al. "Spin Orbit Coupling in Orthogonal Charge Transfer States." Encyclopedia. Web. 25 March, 2022.