KiMoPack: A python Package for Kinetic Modeling of the Chemical Mechanism

C Müller, T Pascher, A Eriksson… - The Journal of …, 2022 - ACS Publications
Herein, we present KiMoPack, an analysis tool for the ki netic mo deling of transient
spectroscopic data. KiMoPack enables a state-of-the-art analysis routine including data …

Outpacing conventional nicotinamide hydrogenation catalysis by a strongly communicating heterodinuclear photocatalyst

L Zedler, P Wintergerst, AK Mengele, C Müller… - Nature …, 2022 - nature.com
Unequivocal assignment of rate-limiting steps in supramolecular photocatalysts is of utmost
importance to rationally optimize photocatalytic activity. By spectroscopic and catalytic …

Plugging the 3MC Sink in RuII‐Based Photocatalysts

GE Shillito, S Rau, S Kupfer - ChemCatChem, 2023 - Wiley Online Library
Quantum chemical methods have been utilised to explore the kinetics and thermodynamics
of a prominent charge recombination pathway in a series of RuII based molecular …

Excitation Energy-Dependent Branching Dynamics Determines Photostability of Iron (II)–Mesoionic Carbene Complexes

SS Nair, OA Bysewski, S Kupfer, M Wächtler… - Inorganic …, 2021 - ACS Publications
Photoactive metal complexes containing earth-abundant transition metals recently gained
interest as photosensitizers in light-driven chemistry. In contrast to the traditionally employed …

Innovative Arylimidazole‐Fused Phytovirucides via Carbene‐Catalyzed [3+ 4] Cycloaddition: Locking Viral Cell‐To‐Cell Movement by Out‐Competing Virus Capsid …

C Wei, C Zhao, J Li, C Li, B Song, R Song - Advanced Science, 2024 - Wiley Online Library
The control of potato virus Y (PVY) induced crop failure is a challengeable issue in
agricultural chemistry. Although many anti‐PVY agents are designed to focus on the …

Photocatalytic activities of cadmium (II) acetophenone thiosemicarbazone complex: experimental and density functional theory based study

A Lathe, K Palanisamy, M Prakash, AM Palve - Inorganic Chemistry …, 2023 - Elsevier
The Cd (II) complex of the type CdI 2 (acetptsczH) 2 (where, acetptsczH= acetophenone
thiosemicarbazone) has been utilized for photoreduction of Cr (VI) to Cr (III) and …

Syntheses, Structures, and Properties of Polynitro-Substituted 5,6-Dihydrodiimidazo[1,2-a:2′,1′-c]pyrazine Energetic Compounds

Y Xu, L Ding, D Li, P Wang, Q Lin, M Lu - Crystal Growth & Design, 2022 - ACS Publications
A series of polynitro-substituted 5, 6-dihydrodiimidazo [1, 2-a: 2′, 1′-c] pyrazine energetic
compounds were synthesized by cyclization and nitration of biimidazole. All newly …

Merging of a Perylene Moiety Enables a RuII Photosensitizer with Long‐Lived Excited States and the Efficient Production of Singlet Oxygen

MA Schmid, J Brückmann, J Bösking… - … A European Journal, 2022 - Wiley Online Library
Multichromophoric systems based on a RuII polypyridine moiety containing an additional
organic chromophore are of increasing interest with respect to different light‐driven …

Influence of the Protonation State on the Excited-State Dynamics of Ruthenium (II) Complexes with Imidazole π-Extended Dipyridophenazine Ligands

C Müller, D Isakov, S Rau… - The Journal of Physical …, 2021 - ACS Publications
Ruthenium (II) complexes, like [(tbbpy) 2Ru (dppz)] 2+(Ru-dppz; tbbpy= 4, 4′-di-tert-butyl-2,
2′-bipyridine, dppz= dipyrido-[3, 2-a: 2′, 3′-c] phenazine), have emerged as suitable …

Insights into the different mechanistic stages of light-induced hydrogen evolution of a 5, 5′-bisphenanthroline linked RuPt complex

M Lämmle, TD Pilz, RJ Kutta, M Müßler… - Dalton …, 2022 - pubs.rsc.org
Herein, the synthesis in conjunction with the structural, electrochemical, and photophysical
characterization of a 5, 5′-bisphenanthroline (phenphen) linked heterodinuclear RuPt …