Ultrafast ring-opening dynamics of 1,2-dithiane following ultraviolet absorption
- Patrick A. Robertson, James Merrick, David Heathcote, Matthew S. Robinson, Alexander Butler, Yasmine Biddick, J.F. Pedro Nunes, Conor Rankine, Zhihao Liu, Samuel F. Arrowsmith, James O.F. Thompson, M. Nrisimha Murty, Richard Chapman, Emma Springate, Edward A. Anderson, Adam Kirrander and Claire Vallance
- Publication
- July 16, 2025
Abstract:
We report results from a recent laser pump–probe study into the ultrafast ring-opening dynamics of 1,2-dithiane. Following absorption of a 290 nm photon, the nuclear dynamics were probed as a function of pump–probe delay on the femtosecond timescale by strong-field ionisation with an 800 nm probe pulse, resulting in production of a range of atomic and molecular fragment ions. The time-dependent yields of atomic fragment ions reveal evidence of coherent nuclear wavepacket dynamics corresponding to the previously proposed ‘Newton’s cradle’ motion of 1,2-dithiane, in which repeated ring opening, structural inversion, and ring closing occurs on a timescale of ∼400-500 fs. Based on surface-hopping trajectory simulations of the non-adiabatic dynamics, we are able to rationalise the observed time-dependent ion yields in terms of a geometry-dependent variation in ionisation energy for the photoexcited 1,2-dithiane molecule.
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DOI:
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Chem. Phys. Lett., 2025, 871, 142095
