Distortion Engineering: A Strategy to Modulate Molecular Upconversion with Molecular Cluster-Aggregates
Bibliographic record
Abstract
The rational engineering of molecules is a powerful chemistry tool of pivotal importance in the fields of molecular magnetism and luminescence. Hence, systems that can be modulated via molecular engineering and composition control are expected to present extra versatility regarding the tunability of their properties. This is the case with molecular cluster aggregates (MCAs), high nuclearity molecular compounds. Herein, we demonstrate how the union of both strategies, namely, composition control and molecular engineering, can be employed to enhance molecular upconversion in MCAs. This was achieved by doping a {Gd 8 Er 2 Yb 10 } MCA with Ce III ions. By replacement of the optically silent Gd III ions with Ce III, the upconversion mechanism is modified due to Ce III -mediated cross-relaxation. In addition to this effect, we could also engineer the degree of metal site distortion due to the larger size of Ce III ions, relaxing the selection rules and impacting the upconversion quantum yield and luminescent thermometry. Opto-structural correlations demonstrate that the presented molecular engineering strategy can be used to enhance the performance of molecular upconverters.
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How this classification was reachedexpand
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) | 0.000 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".