Optical spectroscopy as a tool for studying the solution chemistry of neodymium (III)
PR Nawrocki, TJ Sørensen - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
In nature, the elements of the inorganic part of the periodic table are found in three forms:
metals, ions in salts & minerals, and ions in solution. The ions may be coordinated to simple …
metals, ions in salts & minerals, and ions in solution. The ions may be coordinated to simple …
Mixed Microscopic Eu2+ Occupancies in the Next‐Generation Red LED Phosphor Sr[Li2Al2O2N2]:Eu2+ (SALON:Eu2+)
F Ruegenberg, A García‐Fuente… - Advanced Optical …, 2023 - Wiley Online Library
Red‐emitting narrow‐band phosphors are of utmost importance for next‐generation white‐
light phosphor‐converted light‐emitting diodes (pc‐wLEDs) for improved efficacy and …
light phosphor‐converted light‐emitting diodes (pc‐wLEDs) for improved efficacy and …
[HTML][HTML] JOYSpectra: A web platform for luminescence of lanthanides
JOYSpectra is a free-of-charge web platform to perform online calculations of spectroscopic
properties of lanthanide-based compounds and materials. It has several features and …
properties of lanthanide-based compounds and materials. It has several features and …
The role of the Eu3+ 7F1 level in the direct sensitization of the 5D0 emitting level through intramolecular energy transfer
The understanding of intramolecular energy transfer (IET) processes in photoluminescent
Eu 3+ chelates is of great importance in the design of new efficient emitting devices …
Eu 3+ chelates is of great importance in the design of new efficient emitting devices …
AOMadillo: A program for fitting angular overlap model parameters
M Buchhorn, V Krewald - Journal of Computational Chemistry, 2024 - Wiley Online Library
The angular overlap model (AOM) is an established parameterization scheme within ligand
field theory (LFT). In principle, its application is fairly straightforward, but can be tedious and …
field theory (LFT). In principle, its application is fairly straightforward, but can be tedious and …
[HTML][HTML] The π-interactions of ammonia ligands evaluated by ab initio ligand field theory
M Buchhorn, V Krewald - Dalton Transactions, 2023 - pubs.rsc.org
Ammonia and amine ligands are commonly assumed to be σ-only ligands in coordination
chemistry, ie they are not expected to interact significantly with a metal via a π path. Ligand …
chemistry, ie they are not expected to interact significantly with a metal via a π path. Ligand …
[HTML][HTML] Adaptive guided stochastic optimization: A novel approach for fitting the theoretical intensity parameters for lanthanide compounds
In this study, we introduce a state-of-the-art approach to enhance the fitting accuracy of
theoretical intensity parameters in lanthanide spectroscopy. Lanthanide-based compounds …
theoretical intensity parameters in lanthanide spectroscopy. Lanthanide-based compounds …
Reinterpreting the Judd–Ofelt parameters based on recent theoretical advances
Lanthanide (or lanthanoid, Ln)-based complexes and materials hold a special place among
luminescent systems, for example,(bio) organic systems (molecules and crystals [1–7] …
luminescent systems, for example,(bio) organic systems (molecules and crystals [1–7] …
Revisiting the Fundamental Nature of Metal‐Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model Parameters
M Buchhorn, RJ Deeth… - Chemistry–A European …, 2022 - Wiley Online Library
The properties and reactivities of transition metal complexes are often discussed in terms of
Ligand Field Theory (LFT), and with ab initio LFT a direct connection to quantum chemical …
Ligand Field Theory (LFT), and with ab initio LFT a direct connection to quantum chemical …
CuII Lewis Acid, Proton-Coupled Electron Transfer Mechanism for Cu-Metal–Organic Framework-Catalyzed NO Release from S-Nitrosoglutathione
RR Tuttle, RG Finke, MM Reynolds - ACS catalysis, 2022 - ACS Publications
Evidence is provided for a previously unknown proton-coupled electron transfer (PCET)
mechanism for nitric oxide (NO) release from endogenous S-Nitrosoglutathione (GSNO) …
mechanism for nitric oxide (NO) release from endogenous S-Nitrosoglutathione (GSNO) …