Photochemical reactions provide access to products that would be difficult or impossible to obtain with a thermal reaction path. Elucidating such reactions remains a major challenge for theory. We study photochemical routes for dinitrogen splitting and the photochemistry of azides as model complexes for this reaction.

In the field of photophysics, we have developed a method that enables the assignment of excitation characters in ensembles. In addition, by analyzing the excited state dynamics, we were able to detect vibrational coherences in a dinuclear complex.

Publications:

Šrut, Adam ; Bhattacharjee, Sinjini ; Pantazis, Dimitrios A. ; Krewald, Vera (2025) Analyzing spectral distributions of charge transfer character in ensembles: a case study on the reaction center of photosystem II. In: Physical Chemistry Chemical Physics, 27 (16)

doi: 10.1039/D5CP00317B Artikel, Bibliographie

Scherz, Frederik ; Bauer, Markus ; Domenianni, Luis ; Hoyer, Carolin ; Schmidt, Jonas ; Sarkar, Biprajit ; Vöhringer, Peter ; Krewald, Vera (2024) Ultrafast photogeneration of a metal-organic nitrene from 1,1’-diazidoferrocene. In: Chemical Science, 15 (18)

doi: 10.1039/D4SC00883A Artikel, Bibliographie

Šrut, Adam ; Krewald, Vera (2023) Vibrational coherences of the photoinduced mixed-valent Creutz–Taube Ion revealed by excited state dynamics. In: The Journal of Physical Chemistry A

doi: 10.1021/acs.jpca.3c04415 Artikel, Bibliographie

Fritz, Maximilian ; Rupp, Severine ; Kiene, Ciara Isabel ; Kisan, Sesha ; Telser, Joshua ; Würtele, Christian ; Krewald, Vera ; Schneider, Sven (2022) Photoelectrochemical Conversion of Dinitrogen to Benzonitrile: Selectivity Control by Electrophile‐ versus Proton‐Coupled Electron Transfer. In: Angewandte Chemie International Edition, 61 (35)

doi: 10.1002/anie.202205922 Artikel, Bibliographie

Schluschaß, Bastian ; Borter, Jan-Hendrik ; Rupp, Severine ; Demeshko, Serhiy ; Herwig, Christian ; Limberg, Christian ; Maciulis, Nicholas A. ; Schneider, Jessica ; Würtele, Christian ; Krewald, Vera ; Schwarzer, Dirk ; Schneider, Sven (2021) Cyanate Formation via Photolytic Splitting of Dinitrogen. In: JACS Au – an open access journal of the American Chemical Society, 1 (6)

doi: 10.1021/jacsau.1c00117 Artikel, Bibliographie

Rupp, Severine ; Plasser, Felix ; Krewald, Vera (2020) Multi-tier electronic structure analysis of Sita's Mo and W complexes capable of thermal or photochemical N2 splitting. In: European Journal of Inorganic Chemistry, 2020

doi: 10.1002/ejic.201901304 Artikel, Bibliographie

Schendzielorz, Florian ; Finger, Markus ; Abbenseth, Josh ; Würtele, Christian ; Krewald, Vera ; Schneider, Sven (2018) Metal-Ligand Cooperative Synthesis of Benzonitrile by Electrochemical Reduction and Photolytic Splitting of Dinitrogen. In: Angewandte Chemie International Edition, 58 (3)

doi: 10.1002/anie.201812125 Artikel, Bibliographie

Krewald, Vera (2018) Dinitrogen photoactivation: status quo and future perspectives. In: Dalton Transactions, 47 (31)

doi: 10.1039/c8dt00418h Artikel, Bibliographie