New insights into the dissociation dynamics of methylated anilines
| Main Authors: | Cole-Filipiak, Neil C., Stavros, Vasilios G. |
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| Format: | info dataset Journal |
| Terbitan: |
, 2019
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/1488380 |
Daftar Isi:
- Aniline, an important model system for biological chromophores, undergoes ultrafast H-atom loss upon absorption of an ultraviolet photon. By varying the number and position of methyl substituents on both the aromatic ring and amine functional group, we explore the ultrafast production of photofragments as a function of molecular structure. Both N-methyl aniline and 3,5-dimethyl aniline show altered H-atom loss pathways compared to aniline, while no evidence for CH3 loss was found from either N-methyl aniline or N,N-dimethyl aniline. With the addition of time resolved photoelectron spectroscopy, the photofragment appearance times may be matched to excited state relaxation pathways. Evidence for a sequential excited state relaxation mechanism, potentially involving a valence-to-Rydberg decay mechanism, will be presented. Such a global, bottom-up approach to molecular photochemistry is crucial to understanding the dissociative pathways and excited state decay mechanisms of biomolecule photoprotection in nature. All data are saved as a .csv file. Each transient .csv file is labeled according to molecule, pump wavelength, data type, and a date (e.g. NMA_238_TRPES_11Oct2017.csv). The first column contains kinetic energies (either eKE or TKER) while the first row indexes each time delay. The normalised UV absorption spectra are saved in one file, with columns for each molecule.