ArticleThe journal of physical chemistry. A2022
Much of a Muchness: On the Origins of Two- and Three-Photon Absorption Activity of Dipolar Y-Shaped Chromophores.
Article in The journal of physical chemistry. A, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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5 citing papers in PubMed.
- Structure of Organoboron Dyes and Multiphoton Absorption: Insights from Theory.The journal of physical chemistry letters · 2025Article
- Thioflavin T Inspirations: On the Photophysical and Aggregation Properties of Fluorescent Difluoroborates Based on the Benzothiazole Core.The journal of physical chemistry. A · 2025Article
- Exceptional three- to six-photon absorption at organometallic dendrimers.Chemical science · 2024Article
- Chromophore Planarity, -BH Bridge Effect, and Two-Photon Activity: Bi- and Ter-Phenyl Derivatives as a Case Study.The journal of physical chemistry. A · 2023Article
- Impact of the Protein Environment on Two-Photon Absorption Cross-Sections of the GFP Chromophore Anion Resolved at the XMCQDPT2 Level of Theory.International journal of molecular sciences · 2023Article
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6 authors.
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Abstract
The molecular origin of two- (2PA) and three-photon absorption (3PA) activity in three experimentally studied chromophores, prototypical dipolar systems, is investigated. To that end, a generalized few-state model (GFSM) formula is derived for the 3PA transition strength for nonhermitian theories and employed at the coupled-cluster level of theory. Using various computational techniques such as molecular dynamics, linear and quadratic response theories, and GFSM, an in-depth analysis of various optical channels involved in 2PA and 3PA processes is presented. It is found that the four-state model involving the second and third excited singlet states as intermediates is the smallest model among all considered few-state approximations that produces 2PA and 3PA transition strengths (for S
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