ArticleJournal of fluorescence2026
Triphenylamine vs Triphenylphosphine Donors in D-A and D-π-A Frameworks: A DFT/TD-DFT Roadmap for DSSCs and OLEDs.
Article in Journal of fluorescence, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
- Machine-Learning Predictions of Photoluminescence in Molecules Exhibiting Thermally Activated Delayed Fluorescence with Implicit Experimental Validation.Journal of chemical information and modeling · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A comparative analysis of the photophysical and electronic properties of Donor–Acceptor (D-A) and Donor-π-Acceptor (D-π-A) compounds based on triphenylamine and triphenylphosphine was performed using Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT). Structural properties were optimized at the M06/6-31G(d) level of theory, with a focus on a comparative analysis of the geometric configuration of the donor moiety (triphenylamine vs. triphenylphosphine) and the dihedral angles defined by the donor, π-bridge, and acceptor units. Through the analysis of Frontier Molecular Orbitals (HOMO/LUMO) and energy gaps (Egap), the suitability of these compounds for the operating mechanisms of Dye-Sensitized Solar Cells (DSSCs) or Organic Light-Emitting Diodes (OLEDs) was assessed. Absorption and emission spectra, along with electronic transitions, were evaluated using the M06-2X, M11, and CAM-B3LYP functionals with the 6-31G(d) basis set to validate the computational methodology. Furthermore, CIE coordinates were calculated to predict theoretical emission colors. The assessment of chemical reactivity parameters, specifically chemical hardness (η), electrophilicity index (ω), electroaccepting power (ω+), and electrodonating power (ω−), enabled the determination of the stability and specific applicability of these molecules for high-performance OLED or DSSC devices.
Indexed as
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.