The mechanism of a newly discovered photochemical reaction of β-enaminones is examined by femtosecond transient absorption spectroscopy and multistate multiconfigurational quantum chemical calculations. Our study reveals that this photochemical reaction features a previously undocumented excited-state-proton-transfer (ESIPT) process. We show that this process is structurally and dynamically gated, occurring in ultrafast time domain with complex progression of β-enaminone along three potential energy surfaces featuring two conical intersections and a singlet-triplet crossing.
Obloy, L.M., Valloli, L.K., Gonzalez, A.B., Garg, D., Bezabih, M.S., Olivucci, M., et al. (2026). Deciphering the Novel Photoreactivity of β‐Enaminones. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 65(1) [10.1002/anie.202519037].
Deciphering the Novel Photoreactivity of β‐Enaminones
Olivucci, Massimo
;
2026-01-01
Abstract
The mechanism of a newly discovered photochemical reaction of β-enaminones is examined by femtosecond transient absorption spectroscopy and multistate multiconfigurational quantum chemical calculations. Our study reveals that this photochemical reaction features a previously undocumented excited-state-proton-transfer (ESIPT) process. We show that this process is structurally and dynamically gated, occurring in ultrafast time domain with complex progression of β-enaminone along three potential energy surfaces featuring two conical intersections and a singlet-triplet crossing.
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https://hdl.handle.net/11365/1322068
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