Alkoxide-functionalized cyclopentadienyl complexes of yttrium containing a two-carbon tether
Bibliographic record
Abstract
The ligand C 5 H 4 (CH 2 CH 2 CAr F 2 OH) (3) (Ar F = 3,5-C 6 H 3 (CF 3 ) 2 ) was prepared in two steps, from the iodo ester ICH 2 CH 2 CO 2 Me by way of the cyclopentadienyl ester C 5 H 5 CH 2 CH 2 CO 2 Me (2), in 55% overall yield. Thermal reaction of 3 with {Y[N(SiMe 3 ) 2 ] 2 (THF) 2 (µ-Cl)} 2 afforded the neutral chloride complex {η 5 :η 1 -C 5 H 4 [CH 2 CH 2 C(O)(3,5-C 6 H 3 (CF 3 ) 2 ) 2 ]}YCl{THF} n (5a: n = 2, 5b: n = 1). Metathesis reactions of 5 with 1 equiv of NaN(SiMe 3 ) 2 , LiO-2,6-t-Bu 2 C 6 H 3 , and LiCH(SiMe 3 ) 2 afforded {η 5 :η 1 -C 5 H 4 [CH 2 CH 2 C(O)(3,5-C 6 H 3 (CF 3 ) 2 ) 2 ]}Y{N(SiMe 3 ) 2 }{THF} n (6), {η 5 :η 1 -C 5 H 4 [CH 2 CH 2 C(O)(3,5-C 6 H 3 (CF 3 ) 2 ) 2 ]}Y{O-2,6-t-Bu 2 C 6 H 3 }{THF} n (7), and {η 5 :η 1 -C 5 H 4 [CH 2 CH 2 C(O)(3,5-C 6 H 3 (CF 3 ) 2 ) 2 ]}Y{CH(SiMe 3 ) 2 }{THF} n (8), respectively, (a: n = 2, b: n = 1). Exposure of the bis(THF) solvates to reduced pressure resulted in desolvation to the mono(THF) adducts for 58. The solid state structure of 6b was established by X-ray crystallography. In addition, formation of a spirocyclic ether (C 4 H 6 CH 2 CH 2 C(O)(3,5-C 6 H 3 (CF 3 ) 2 ) 2 4), obtained by the intramolecular cyclization of ligand 3, was confirmed by X-ray crystallography. Key words: yttrium, organometallic, cyclopentadienyl, X-ray, alkoxide, chelate, alkyl, hybrid ligand, NMR, cyclization.
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.131 | 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".