DOI: 10.5281/zenodo.18220296
title: The first microseconds of the life of excited heptamethine cyanine revealed by femtosecond stimulated Raman spectroscopy

description: ____________________Dataset for the article: "The first microseconds of the life of excited heptamethine cyanine revealed by femtosecond stimulated Raman spectroscopy"____________________

Last updated: 2026-01-12DOI: 10.5281/zenodo.18220296

______Contact______* Petr Klan* klan@sci.muni.cz* +420 549 49 4856* ORCID: 0000-0001-6287-2742* Department of Chemistry, Faculty of Science, Masaryk University, Brno, Czech Republic* RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic * Kamenice 5, 625 00, Brno, Czech Republic

______Data manager or custodian______* Luboš Jilek* lubos.jilek@recetox.muni.cz* +420 549 49 7315* ORCID: 0009-0009-0865-1848* RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic * Kamenice 5, 625 00, Brno, Czech Republic

* Marek Martinek* 416780@mail.muni.cz* +420 549 49 5240* ORCID: 0009-0004-7539-0506* RECETOX, Faculty of Science, Masaryk University, Brno, Czech Republic * Kamenice 5, 625 00, Brno, Czech Republic

______Licence______* Dataset the article: The first microseconds of the life of excited heptamethine cyanine revealed by femtosecond stimulated Raman spectroscopy by Gabriel Glotz is licensed under CC BY 4.0* licence information: https://creativecommons.org/licenses/by/4.0/

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______About the dataset______* Heptamethine cyanines are a well-known class of organic near-infrared (NIR) fluorophores that play an indispensable role in chemistry and biology. Despite their ubiquity, the underlying photophysical and photochemical dynamics triggered by excitation remain surprisingly elusive. In this study, we investigated a prototypical heptamethine cyanine (Cy7) using femtosecond stimulated Raman spectroscopy. This dataset contains the acquired raw and processed data, from both experimental and computational methods, enabling transparent view of the project and reproduction of the results. For graphical presentation of the data structure see Data_structure.pdf file accompanying this read me file. 

______Methods of data collection______* The data were acquired using a variety of methods and processed in a manner relevant to each dataset. Both the acquisition methods and the processing methods are described in the supporting information accompanying the article.

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______File name structure_____* The data files are structured according to the main text and the supporting information, i.e., each figure in the main text or supporting information (with spectra) is in a separate folder, with each folder bearing the name of the figure to which it is related. In cases where there are several graphs (X–Y plots) in one figure (e.g., Figure S37, S38, S39, etc.), the data is compartmentalized in subfolders, with naming following the relevant figure.

______File formats______* All files are in the .txt format.

______SW necessary to open files______* All the files in the dataset can be opened with any of the text file reading software, e.g., Notepad.

______Units and abbreviations______* The units of the data are dependent on the relevant data (method) and are consistent with what is presented in the main text or the supporting Information.the units are next to the X-axis labels of each data matrix.

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