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Article Dans Une Revue Journal of Photochemistry and Photobiology C: Photochemistry Reviews Année : 2012

Comprehensive data analysis of femtosecond transient absorption spectra: a review

Résumé

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.

Dates et versions

hal-00683565 , version 1 (29-03-2012)

Identifiants

Citer

C. Ruckebusch, M. Sliwa, P. Pernot, A. de Juan, R. Tauler. Comprehensive data analysis of femtosecond transient absorption spectra: a review. Journal of Photochemistry and Photobiology C: Photochemistry Reviews, 2012, 13, pp.1 - 27. ⟨10.1016/j.jphotochemrev.2011.10.002⟩. ⟨hal-00683565⟩
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