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Data for New insights into the dissociation dynamics of methylated anilines
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Cole-Filipiak, Neil C. and Stavros, Vasilios G. (2019) Data for New insights into the dissociation dynamics of methylated anilines. [Dataset]
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Official URL: https://doi.org/10.5281/zenodo.1488380
Abstract
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 behaviour 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 are 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.
Item Type: | Dataset | ||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||||||||||
Type of Data: | Experimental data | ||||||||||||
Library of Congress Subject Headings (LCSH): | Aniline, Photoelectron spectroscopy, Photochemistry | ||||||||||||
Publisher: | University of Warwick, Department of Chemistry | ||||||||||||
Official Date: | 7 February 2019 | ||||||||||||
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Status: | Not Peer Reviewed | ||||||||||||
Publication Status: | Published | ||||||||||||
Media of Output (format): | .csv | ||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||
Copyright Holders: | University of Warwick | ||||||||||||
Description: | Data record consists of 18 data files in .csv format. |
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