Insights into the Thermal Fragmentation of Intramolecularly Coordinated Gallanes. A Matrix-Isolation FTIR Study
Bibliographic record
Abstract
High-vacuum thermolyses (400-1000 degrees C) of the intramolecularly coordinated gallanes [Me(2)N(CH(2))(3)](2)GaX [X = Cl (1), Br (2)] and (Me(2)NCH(2)CD(2)CH(2))(2)GaBr (2D(4)) have been investigated with matrix-isolation FTIR techniques. Around 850 degrees C, the fragmentation of these compounds was completed, and their typical IR absorptions could no longer be detected in argon matrices. Products have been identified with IR spectroscopy with the help of ab initio and DFT calculations and known literature data. In the case of precursors 1 and 2, respectively, we identified GaH(3), XGaH(2), X(2)GaH, GaH, GaX, HX, HCN, CH(4), H(2)C=CH(2), H(2)C=CHCH(3), H(2)C=NMe, [H(2)CCHCH(2)]., and H(2)C=CHCH(2)NMe(2). In the case of the precursor 2D(4), we found GaH(3), GaH(2)D, BrGaH(2), BrGaDH, GaH, GaD, GaBr, HBr, HCN, CH(4), H(2)C=CD(2), H(2)C=CDCH(3), H(2)C=NMe, [H(2)CCDCH(2)]., and H(2)C=CDCH(2)NMe(2). Among the monomeric hydrides, BrGaH(2) and BrGaDH were isolated for the first time. These compounds have been characterized by their six normal modes, and the experimental frequencies have been compared to the results of MP2(fc)/6-311+G(2d,p) and B3LYP/6-311+G(2d,p) calculations. These results have been interpreted by assuming that the intramolecularly coordinated precursors 1, 2, and 2D(4) eliminate their ligands through Ga-C homolysis and beta-hydrogen elimination.
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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".