Photoluminescent Cu(I) HETPHEN Complexes with Seven Ligand Variants

A dataset on heteroleptic Cu(I) diimine chromophores, featuring seven distinct substituted phenanthroline ligands. It contains spectroscopic data for complexes with MLCT lifetimes from 62 to 443 ns and energetic separations (ΔE) of 713–1009 cm⁻¹ between excited states. The data supports analysis of photophysical properties and photosensitization performance.

Use Cases

• Analyze the correlation between ligand substitution patterns and MLCT lifetimes ranging from 62 to 443 ns
• Model the relationship between energetic separations (ΔE = 713–1009 cm⁻¹) and delayed fluorescence properties
• Validate TD-DFT calculations against experimentally observed UV–vis absorption bands across the series
• Study triplet photosensitization properties using data from model photochemical transformations

Strengths

• Contains photophysical measurements for a series of seven distinct ligand variants
• Reports specific quantitative ranges for key properties: MLCT lifetimes (62-443 ns) and energetic separations (713–1009 cm⁻¹)
• Data is derived from multiple spectroscopic techniques including transient absorption and TD-DFT calculations

Limitations

• The dataset is very small at 7.4 KB, indicating limited scope and likely a small number of data points
• No columnar structure or sample data is provided, complicating direct computational analysis
• Focus is on a specific, synthesized series of molecules, limiting generalizability to other chemical systems

Provenance

Source

figshare, authored by Michael C. Rosko

Collection Method

Experimental synthesis and spectroscopic characterization of newly conceived CuHETPHEN complexes

Freshness

Last updated 2026-03-25.