Transition metal complexes of monodentate 2-oxazolines containing long chain alkyl groups. The crystal structure of <i>trans</i>-PdCl<sub>2</sub>(<i>κ</i> <sup>1</sup>-<i>N</i>-<i>rac</i>-2-heptadecyl-4,5-dihydro-5-methyl-2-oxazole)<sub>2</sub>
Bibliographic record
Abstract
Abstract The synthesis, characterisation and properties of several divalent metal complexes (Co, Ni, Pd) containing 2-oxazoline ligands L1–L3 , appended with long chain alkyl and/or ester groups, is reported. The X-ray crystal structure aspects of one such complex, trans -PdCl 2 ( rac -2-heptadecyl-4,5-dihydro-5-methyl-2-oxazole) 2 (i.e. PdCl 2 ( L1 ) 2 : 3 ), is described. This latter material contains one of the longest alkyl chains to be crystallographically characterised appended to an oxazoline ligand. The complexes reported herein represent the first transition metal derivatives of these high molecular weight, long chain and presumably low polarity monodentate oxazoline ligands. A combination of spectral and theoretical calculations (semi-empirical PM 6(tm) level of theory) are used to support the proposed structure in the case of the hydrates of NiCl 2 and CoBr 2 complexes derived from L1 . A trio of PdCl 2 complexes of the ligand set are likewise detailed. Complex 3 is shown to be a useful pre-catalyst for the promotion of a Heck coupling reaction between bromobenzene and styrene under typical conditions.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.003 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.002 |
| 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; both teacher heads agree on what is shown here.
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".