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Fig. 5 Potential-energy energy profiles of 1-HAQ.

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Presentation on theme: "Fig. 5 Potential-energy energy profiles of 1-HAQ."— Presentation transcript:

1 Fig. 5 Potential-energy energy profiles of 1-HAQ.
Potential-energy energy profiles of 1-HAQ. Profiles shown are of the S0 state (black circles), the S1(ππ*) state (blue squares), and the S1(nπ*) state (red diamonds) of the 1-HAQ molecule as a function of the torsional reaction path (A and C) and the hydrogen transfer reaction path (B). Full lines (full symbols): Energy profiles of reaction paths determined in the same electronic state. Dashed lines (empty symbols) represent ground-state energy calculated for the geometry optimized in the given excited state nπ*(red) or ππ* (blue). Purple rectangles highlight the nπ* and ππ* intersections. J.A. Berenbeim et al. Sci Adv 2019;5:eaaw5227 Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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