Data repository for: XUV Absorption Spectroscopy and Photoconversion of a Tin-Oxo Cage Photoresist

This dataset contains the experimental data for the paper "XUV Absorption Spectroscopy and Photoconversion of a Tin-Oxo Cage Photoresist", by Najmeh Sadegh, Quentin Evrard, Peter M. Kraus and Albert M. Brouwer, The Journal of Physical Chemistry C, 2024, https://doi.org/10.1021/acs.jpcc.3c07480

Files in the archives
data_processing.zip:
data_processing.pdf describes the processing of the data in more detail than in the Supporting Information

data_high_energy.zip:
data_high_energy.xlsx excel file with raw data and processed data for the energy range 42 - 70 eV
readme_data_high_energy.txt description of the content of data_high_energy.xlsx

data_low_energy.zip:
readme_data_low_energy.txt explanation of the content of the file
data_low_energy.xlsx excel file with raw data for energy range 22 - 42 eV
absorbance vs. dose and vs. photons absorbed for 13 HHG peaks
conversion_low_E.xslx fit parameters of the fits of the absorbance vs. dose on sample and vs. photons absorbed in the range 22 - 42 eV
Quantum Yields vs. photon energy and number of photons absorbed; average quantum yield and number of butyl groups lost
figures.zip folder with the data that reproduce figures in the main text, as well as the cross section data retrieved from the CXRO database (https://henke.lbl.gov/optical_constants/)

mol2.zip folder with the structures of relevant optimized structures (B3LYP/Def2SVP) in mol2 format