Comprehensive data analysis of femtosecond transient absorption spectra: a review

Nowadays, time-resolved spectroscopy data can be routinely and accurately collected in UV-vis femtosecond transient absorption spectroscopy. However, the data analysis strategy and the postulation of a physically valid model for this kind of measurements may be tackled with many different approaches ranging from pure soft-modeling (model-free) to hard-modeling, where the elaboration of a parametric spectro-temporal model may be required. This paper reviews methods that are used in practice for the analysis of femtosecond transient absorption spectroscopy data. Model-based methods, common in photochemistry, are revisited, and soft-modeling methods, which originate from the chemometrics field and that recently disseminated in the photo(bio)chemistry literature, are presented. These soft-modeling methods are designed to suit the intrinsic nature of the multivariate (or multi-way) measurement. Soft-modeling tools do not require a priori physical or mechanistic models to provide a decomposition of the data on the time and wavelength dimensions, the only requirement being that these two (or more) dimensions are separable. Additionally, Bayesian data analysis, which provides a probabilistic framework for data analysis, is considered in detail, since it allows uncertainty quantification and validation of the model selection step.

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Field Value
Source ISSN: 1389-5567
Author Ruckebusch, C., Sliwa, M., Pernot, P., de Juan, A., Tauler, R.
Maintainer CCSD
Last Updated May 23, 2026, 05:38 (UTC)
Created May 23, 2026, 05:38 (UTC)
Identifier hal-00683565
Language en
contributor Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 (LASIRE) ; Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS)
creator Ruckebusch, C.
date 2012-05-23T00:00:00
harvest_object_id 9ffb9bb2-fa92-49d0-b21a-fd67c44fa20b
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-11-20T00:00:00
relation info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jphotochemrev.2011.10.002
set_spec type:ART