Redox-Active Boron-Doped Indenofluorenes: Electronic States and NIR Spectra

Colleen H. McAloon's research data on doubly boron-doped indenofluorenes (DBIFs) published on figshare in 2026. The dataset includes information on novel 19 π-electron radical anions and 20 π-electron dianions, with specific optical properties such as absorption in the NIR-IIb region up to 1850 nm. It details isomer-dependent electronic structures, including singlet and triplet ground states, and initial reactivity studies yielding macrocyclic products.

Use Cases

• Training ML models to predict near-infrared absorption wavelengths based on molecular isomer structure.
• Analyzing the relationship between boron-doping positions and resulting electronic states (singlet vs. triplet ground state).
• Studying the cooperative reactivity of boron centers in reduced compounds to predict macrocyclic product formation.

Strengths

• Includes specific optical measurements, such as absorption at 1594 nm tailing to 1850 nm.
• Describes the first isolated and structurally characterized 19 π-electron indenofluorene derivative.
• Compares electronic properties of multiple isomers (para- and meta-QDM structures).

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 58.4 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains experimental synthesis and spectroscopic characterization data from academic research.

Freshness

Last updated 2026-04-24 19:45:21; freshness should be verified.