Nature Communications (Mar 2021)

Predicting wavelength-dependent photochemical reactivity and selectivity

  • Jan P. Menzel,
  • Benjamin B. Noble,
  • James P. Blinco,
  • Christopher Barner-Kowollik

DOI
https://doi.org/10.1038/s41467-021-21797-x
Journal volume & issue
Vol. 12, no. 1
pp. 1 – 12

Abstract

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Predicting the conversion and selectivity of a photochemical reactions is challenging. Here, the authors introduce a framework for the quantitative prediction of the time-dependent progress of a photoligation reaction and predict LED-light induced conversion through a wavelength-resolved numerical simulation.