Related Experiment Video
Updated: Oct 21, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Modern Theoretical Approaches to Modeling the Excited-State Intramolecular Proton Transfer: An Overview
Joanna Jankowska1, Andrzej L Sobolewski2
1Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Poland.
Abstract:
The excited-state intramolecular proton transfer (ESIPT) phenomenon is nowadays widely acknowledged to play a crucial role in many photobiological and photochemical processes. It is an extremely fast transformation, often taking place at sub-100 fs timescales. While its experimental characterization can be highly challenging, a rich manifold of theoretical approaches at different levels is nowadays available to support and guide experimental investigations. In this perspective, we summarize the state-of-the-art quantum-chemical methods, as well as molecular- and quantum-dynamics tools successfully applied in ESIPT process studies, focusing on a critical comparison of their specific properties.
More Related Videos
05:51Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
Published on: July 19, 2019
10:03Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
Published on: June 27, 2014
Related Concept Videos
Deactivation Processes: Jablonski Diagram
Inductive Effects on Chemical Shift: Overview
¹H NMR: Complex Splitting
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
The Bohr Model
Double Resonance Techniques: Overview
Spin decoupling is usually achieved by...
π Electron Effects on Chemical Shift: Overview