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 …

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 …

[HTML][HTML] JOYSpectra: A web platform for luminescence of lanthanides

RT Moura Jr, ANC Neto, EC Aguiar, CV Santos-Jr… - Optical Materials: X, 2021 - Elsevier
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 …

The role of the Eu3+ 7F1 level in the direct sensitization of the 5D0 emitting level through intramolecular energy transfer

L Blois, ANC Neto, OL Malta, HF Brito - Journal of Luminescence, 2022 - Elsevier
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 …

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 …

[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 …

[HTML][HTML] Adaptive guided stochastic optimization: A novel approach for fitting the theoretical intensity parameters for lanthanide compounds

CV Santos-Jr, EC Aguiar, ANC Neto, RT Moura Jr - Optical Materials: X, 2023 - Elsevier
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 …

Reinterpreting the Judd–Ofelt parameters based on recent theoretical advances

IF Costa, L Blois, AN Carneiro Neto… - … and Applications; Brik …, 2023 - degruyter.com
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] …

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 …

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) …