Modulating the Optoelectronic Properties of Tripodal Fluorophores through Fluorine-Substit

A collection of data for fourteen novel tripodal fluorophores based on a triphenylamine donor core, designed with eight different fluorine-based substituents. The dataset includes thermal, electrochemical, linear, and non-linear optical property measurements, supported by Density Functional Theory (DFT) calculations. It was authored by Milan Klikar and last updated on May 4, 2026.

Use Cases

• Modeling structure-property relationships based on fluorine substitution patterns mentioned in the description.
• Training predictive models for thermal stability based on the described thermal property data.
• Benchmarking computational chemistry methods against the provided experimental electrochemical and optical data.
• Analyzing the effect of fluorination on non-linear optical properties as discussed in the description.

Strengths

• Includes data for 14 novel compounds, plus one linear analogue and three non-fluorinated parental structures.
• Contains multiple property types: thermal, electrochemical, linear optical, and non-linear optical.
• Property investigations are supported by DFT calculations, providing a computational link.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Laboratory synthesis and measurement, supported by computational modeling.

Freshness

Last updated 2026-05-04 10:49:03; freshness should be verified.