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  About Chemical Trends in Transition Metal Complexes

Rolfes, J. D. (2021). About Chemical Trends in Transition Metal Complexes. PhD Thesis, Universität, Duisburg-Essen.

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Genre: Hochschulschrift

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 Urheber:
Rolfes, Julian David1, Autor           
Affiliations:
1Research Group van Gastel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541713              

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 Zusammenfassung: The present doctoral thesis developed around the objective to generate a bench-stable electrophilic fluorinating reagent (like Selectfluor1) from inorganic fluoride as fluorine source. In
contrast to the preceding Master’s thesis,[1] this thesis does not focus on the synthesis and analysis of potential complexes to catalyze the aforementioned reaction, but rather on some of the
theoretical vacancies that deter us as a scientific community from understanding what to take
care of in order to successfully design such a reaction.
This thesis presents another fraction of this groundwork like the analysis of an electrophilic
fluorination reaction mechanism from a high-valent palladium fluoride complex, the non-existence of a potential “Fluoro Wall” (the respective fluoro-analogon of the Oxo Wall), the
generation of a novel all-electron basis set to accurately calculate relativistic properties of fifth
period elements, and of course the parallel developments in computational catalyst design for
the oxidative activation of fluoride.

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Sprache(n): eng - English
 Datum: 2021-04-062021-04-06
 Publikationsstatus: Erschienen
 Seiten: 25
 Ort, Verlag, Ausgabe: Duisburg-Essen : Universität
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: -
 Art des Abschluß: Doktorarbeit

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