2021-07-08T22:06:04 n1819

Predicting wavelength-dependent photochemical reactivity and selectivity

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Conversion of photochemical reactions is inherently hard to predict. Not only the irradiation source (power and emission spectrum), reactor geometry and vessel, but also the reaction quantum yield, which can be dependent on wavelength, concentration of reactants or type of solvent, determine the rate of reaction. Consequently, the selectivity of two competing photoreactions is even harder to predict. The associated publication establishes, how photochemical reactivity and selectivity can be rationalised and predicted using the example of light-induced ligation reactions, such as the photoenol ligation and tetrazole ligation:

This record contains data associated with the publication 'Menzel, J.P., Noble, B.B., Blinco, J.P. et al. Predicting wavelength-dependent photochemical reactivity and selectivity. Nat Commun 12, 1691 (2021). https://doi.org/10.1038/s41467-021-21797-x.'

Source code is published on GitHub (https://github.com/jphmenzel/jpmphotochem) and separately on QUT Software Finder.  Supplementary information is also available.

Access rights

Open Access. This article (including associated datasets) is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

Geographical area of data collection

kmlPolyCoords
153.028076,-27.467712

Publications

Menzel, J.P., Noble, B.B., Blinco, J.P. et al. Predicting wavelength-dependent photochemical reactivity and selectivity. Nat Commun 12, 1691 (2021). https://doi.org/10.1038/s41467-021-21797-x

Research areas

Photochemistry
Photoligation
Numerical simulation

Cite this collection

Menzel, Jan Philipp; Noble, Benjamin B.; Blinco, James P.; Barner-Kowollik, Christopher; (2021): Predicting wavelength-dependent photochemical reactivity and selectivity. Queensland University of Technology. (Dataset) https://doi.org/10.25912/RDF_1623385958717

Partner institution

School of Engineering, RMIT University https://www.rmit.edu.au/about/schools-colleges/engineering

Data file types

Data files are in Microsoft Excel (.xlsx) format.

Licence


Creative Commons Attribution 4.0 (CC-BY)
http://creativecommons.org/licenses/by/4.0/

Copyright

© Jan Philipp Menzel, 2021.

Dates of data collection

From 2019-04-15 to 2020-11-30

Connections

Has chief investigator
Jan Philipp Menzel  (Researcher)

Other

Date record created:
2021-04-27T21:52:01
Date record modified:
2021-07-08T22:06:04
Record status:
Published - Open Access