Supporting information to the Data in Brief co-submission "Experimental and Computational Data on Two-Photon Absorption and Spectral Deconvolution of the Upper Excited States of Dye IR780"

Published: 4 January 2021| Version 3 | DOI: 10.17632/2b3x7pgmfx.3
Contributors:
Luis Mendoza-Luna,
Cesar A. Guarin,
Emmanuel Haro-Poniatowski,
José Luis Hernández-Pozos

Description

The data presented here are experimental results on the two-photon absorption properties of cyanine dye IR780. The file 2PA_IR780_slopes_2.xlsx features the raw data of the logarithm of the integrated fluorescence vs. the logarithm of the peak intensity and the lines of best fit for each plot. This Excel file is organized into several tabs, each labelled with the excitation wavelength used to irradiate our samples (Rhodamines 6G and B as well as IR780); these data were featured in the Data in Brief manuscript entitled "Experimental and Computational Data on Two-Photon Absorption and Spectral Deconvolution of the Upper Excited States of Dye IR780". The file deconvolution_N_peaks.xlsx features the raw data of the deconvolution of the absorption spectrum of the upper excited states of IR780 with 5, 6, 7, 8 and 9 Gaussian functions. This Excel file contains several tabs, the first one of them being the experimental absorption spectrum of IR780; the rest of the tabs are labelled by the number of Gaussian functions employed in the deconvolution; these data were featured in the Data in Brief manuscript mentioned above. The information contained in this file shows the assignment of the bands pertaining to electronic states S2-S6; the 8-peak and 9-peak fits show suitable R-Square and Reduced Chi-Sqr values that demonstrate the coexistence of said electronic states in the spectral region 18350 - 35980 cm-1.

Files

Steps to reproduce

See " Two-Photon Absorption Spectrum and Characterization of the Upper Electronic States of the Dye IR780" by Guarin et al. and "Experimental and Computational Data on Two-Photon Absorption and Spectral Deconvolution of the Upper Excited States of Dye IR780" by Mendoza-Luna et al., both currently in press for further details.