Synthesis, Structure, and C–C Cross‐Coupling Activity of (Amine)bis(phenolato)iron(acac) Complexes
Bibliographic record
Abstract
Abstract A series of (amine)bis(phenolato)iron(III)acac complexes has been prepared and characterized. Reaction of Fe(acac) 3 with the diprotonated linear tetradentate proligand N , N′ ‐bis(4,6‐di‐ tert ‐butyl‐2‐methylphenol)‐ N , N′ ‐dimethyl‐1,2‐diaminoethane, H 2 [ L1 ], and tripodal tetradentate ligand precursors dimethylaminoethylamino‐ N , N ‐bis(2‐methylene‐4,6‐di‐ tert ‐butylphenol), H 2 [ L2 ], dimethylaminoethylamino‐ N , N ‐bis(2‐methylene‐4‐methyl‐6‐ tert ‐butylphenol), H 2 [ L3 ], 2‐methoxyethylamino‐ N , N ‐bis(2‐methylene‐4,6‐di‐ tert ‐butylphenol), H 2 [ L4 ], 2‐methoxyethylamino‐ N , N ‐bis(2‐methylene‐4‐methyl‐6‐ tert ‐butylphenol), H 2 [ L5 ], and 2‐methoxyethylamino‐ N , N ‐bis(2‐methylene‐4,6‐dimethylphenol), H 2 [ L6 ], produces the distorted octahedral Fe III complexes [ L1 ]Fe(acac) ( 1 ), [ L2 ]Fe(acac) ( 2 ), [ L3 ]Fe(acac) ( 3 ), [ L4 ]Fe(acac) ( 4 ), [ L5 ]Fe(acac) ( 5 ), and [ L6 ]Fe(acac) ( 6 ). In all of these complexes, the phenolato oxygen atoms are cis ‐oriented. The paramagnetic Fe III complexes 1 – 6 were also characterized by UV/Vis and IR spectroscopy, mass spectrometry, cyclic voltammetry, and magnetic measurements. Single crystal X‐ray molecular structures have been determined for complexes 1 , 2 , 3 , 5 , and the proligand H 2 [ L6 ]. Preliminary investigations of complexes 1 – 6 for catalytic cross‐coupling reactions of aryl Grignard reagents with cyclic and acyclic secondary alkyl halides and benzyl halides were performed. While the activity for cyclohexyl chlorides and bromides was high, cross‐coupling of benzyl halides was moderate and 2‐bromo‐ and 2‐chlorobutane gave poor yields of cross‐coupled product.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 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".