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Article Abstract
Knowledge of relative displacements between potential energy surfaces (PES) is critical in spectroscopy and photochemistry. Information on displacements is encoded in vibrational coherences. Here we apply ultrafast two-dimensional electronic spectroscopy in a pump-probe half-broadband (HB2DES) geometry to probe the ground- and excited-state potential landscapes of cresyl violet. 2D coherence maps reveal that while the coherence amplitude of the dominant 585 cm Raman-active mode is mainly localized in the ground-state bleach and stimulated emission regions, a 338 cm mode is enhanced in excited-state absorption. Modeling these data with a three-level displaced harmonic oscillator model using the hierarchical equation of motion-phase matching approach (HEOM-PMA) shows that the S ← S PES displacement is greater along the 585 cm coordinate than the 338 cm coordinate, while S ← S displacements are similar along both coordinates. HB2DES is thus a powerful tool for exploiting nuclear wavepackets to extract quantitative multidimensional, vibrational coordinate information across multiple PESs.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10945572 | PMC |
| http://dx.doi.org/10.1021/acs.jpclett.3c03420 | DOI Listing |
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