Abstract
Dataset for article "Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the --H dissociative ionization of methylated PAHs". DOI: 10.1016/j.jms.2022.111620 - folder Experimental contains - folder Fig2_IRPDspectra containing - with IRPD spectra data of all three species (Fig. 2) - folder Fig3_Depletion containing - the saturation depletion measurements on six bands (Fig. 3) - folder FigS1_MassSpectra containing - the mass spectra of all three species in Trap ON/OFF modes (Fig. S1) - folder Theoretical contains - .log files for each considered species - e.g.: folder C11H9+ contains folders for the - NapC7+ - NapC7+Ne - NapCH2+ - NapCH2+Ne These contain all .log files needed to reproduce Figs. 4, 5, 6 of the main mansucript and Figs. S3, S4, S5, S6, S7, S8, S9 of the supplementary material - folder Fig7_EnergyProfile containing - all minima and transition states for the computed energy profile (doublet spin state surface) for the H loss from NapCH3+ leading to NapCH2+ and NapC7+ (Fig. 7) Copyright: Creative Commons Attribution 4.0 International Open Access
