Fe(III) Complexes: Spectroscopic and Computational Data for Luminescence Study

Raw data underpins research on iron(III) complexes achieving prolonged luminescence through a mechanism of excited-state equilibration. The dataset includes NMR, time-resolved absorption spectroscopy (TAS), time-correlated single photon counting (TCSPC), time-dependent density functional theory (TD-DFT) results, and mass spectrometry files. These files support the validation and reproduction of findings on reversible intercomponent electron transfer.

Use Cases

• Validating computational models by comparing TD-DFT results with experimental spectroscopic data.
• Analyzing excited-state kinetics using time-correlated single photon counting (TCSPC) files.
• Investigating transient species and equilibration pathways with time-resolved absorption spectroscopy (TAS) measurements.
• Confirming molecular structure and purity using NMR fid files and time-of-flight mass spectra.

Strengths

• Includes raw, unprocessed data files from multiple experimental and computational techniques, supporting reproducibility.
• Released under a permissive CC-BY-4.0 license, facilitating reuse and sharing.
• Dataset size of approximately 305 MB suggests a substantial collection of primary research data.

Limitations

• Column names and a clear data dictionary are not provided, which may hinder immediate interpretation.
• The dataset appears to be a static snapshot supporting a single publication, with no indication of ongoing updates.
• Platform metadata lists 'Rows: unknown' and 'Rows: None', indicating incomplete descriptive metadata.

Provenance

Source

Sebastiano Campagna, author of the associated research paper.

Collection Method

Data generated from laboratory experiments (NMR, TAS, TCSPC, mass spectrometry) and computational chemistry (TD-DFT) for a specific study.

Freshness

Last updated on 2026-03-23.