Abstract
The role of conical intersections in the photodissociation of the 1-hydroxyethyl radical is investigated. Two local minima on the 1 2A–2 2A seam of the conical intersection, which correspond to significant stretching of either the O–H or the nonmethyl C–H bond are located, as is an energy minimized intersection on the 2 2A–3 2A seam. The local topography for these conical intersections is determined from the average energy gradient, energy difference gradient and interstate coupling gradient and used to discuss the mechanism of photodissociation. The results are compared with a theoretical study of the hydroxymethyl radical, and are used to explain recent REMPI and photofragment yield spectra. The absence of a REMPI spectrum for the 2 2A state, nominally the 3s Rydberg state, is attributed to a 1 2A–2 2A conical intersection. Time-of-flight spectra in the region of the 2 2A state are discussed, as are spectra in the region of the 3 2A, a 3p Rydberg, state.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
