Quantifying Electron Transfer Paths

Quantifying Electron Transfer Paths

Author(s): Vera Krewald

Publication: Bunsen-Magazin 2023, 6, 197-199

Publisher: Deutsche Bunsen-Gesellschaft für physikalische Chemie e.V., Frankfurt

Language: English

DOI: 10.26125/ftag-kb79

Abstract: As the name states, Physical Chemistry operates at the intersection of physics and chemistry. One fundamental difference between these sciences is that physics is governed by laws, whereas chemistry is mostly discussed in terms of concepts. This is not to say that chemistry is lawless – it of course is rooted in the laws of classical and quantum physics. But these laws are often too complex to execute for systems of chemical interest that exceed a few atoms and a few more electrons. In this contribution, we discuss how quantum chemistry can contribute to quantifying chemical concepts. As an example, we illustrate the quantification of electron transfer paths in mixed-valent compounds according to Marcus–Hush theory for a series of dinitro radical anions.

Cite this:  V. Krewald, Bunsen-Magazin 2023, 6, 197-199, DOI: 10.26125/ftag-kb79

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