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. Author manuscript; available in PMC: 2024 Jan 5.
Published in final edited form as: Faraday Discuss. 2023 Jan 5;241:266–277. doi: 10.1039/d2fd00122e

Figure 2.

Figure 2.

Potential energy surface obtained using the geometries at the B3LYP-D3/6-31G(d) level of theory showing the pathways for syn and anti product formation. The abbreviations are as follows: T: Triplet; S: Singlet; TS: Transition state. Dotted arrows represent vertical photoexcitation, and cyan shading illustrates relaxation of the triplet conformer states to the excimer.