Vibrational Circular Dichroism Unveils Chiroptical, Electrical, and Magnetic Properties of Borylated Isocyanides and Aldehydes
Bibliographic record
Abstract
The absolute configurations of two novel chiral borylated compounds bearing the ( S )‐proline‐derived N ‐carboxymethylproline ligand have been studied by vibrational circular dichroism (VCD) in conjunction with IR absorption, UV absorption, and electronic circular dichroism (ECD). DFT and time‐dependent DFT calculations allowed us to interpret the observed spectra and gave credibility to the VCD data. The VCD data in the CH stretching region were also considered. The experimental and computational data are consistent with those obtained by NMR spectroscopy. The investigation of the C=O stretching region should assist in the future assignment of the absolute configuration of chiral borylated compounds bearing carbonyl groups.
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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) | 0.001 | 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 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".