From Blue to Red: Syntheses, Structures, Electronic and Electroluminescent Properties of Tunable Luminescent N,N Chelate Boron Complexes
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Bibliographic record
Abstract
Abstract A comprehensive study of a series four‐coordinate boron compounds with the general formula of BPh 2 (N,N), where N,N are bidentate chelate ligands containing both neutral and negatively charged nitrogen donor atoms has been conducted. The structures of the boron complexes were examined via single‐crystal X‐ray diffraction. The series of molecules display bright luminescence with emission maxima λ max ranging from blue to red, depending on the nature of the N,N chelate ligand. The electronic effects and their consequences on the luminescent properties of the complexes due to the CH replacement of the chelate ligand by a nitrogen atom, the increase of conjugation, or the change of substituents on the chelate ligand have been examined using electrochemical analysis, UV‐visible, and fluorescence spectroscopic methods, and by molecular orbital calculations (Gaussian 98). Experimental data and MO calculation results established that the emission of this class of compounds is caused by π–π* transitions centered on the chelate ligand. Furthermore, the experimental and theoretical results consistently and conclusively established that electron withdrawing groups on the negatively charged N‐donor portion of the chelate ligand causes a decrease in the highest occupied molecular orbital (HOMO) energy level, thus increasing the energy gap. The CH replacement by a nitrogen atom on the negatively charged portion of the chelate ligand causes a dramatic decrease of the HOMO energy level, and the increase of conjugation in the chelate ligand significantly decreases the energy gap. Blue and red electroluminescent (EL) devices were fabricated successfully using two representative boron compounds from the series. The new boron compounds have been found to be able to function as both emitters and electron transport materials in EL devices.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it