Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
The saturated imidazolin-2-ylidene compounds RNC 3 H 4 NR, with R = mesityl (SIMes), 2,6-diisopropylphenyl, were synthesized by use of diamines that were prepared by the hydrogenation of the corresponding diimines catalyzed by RuHCl( R -binap)( R, R -dach)/KO t Bu in toluene. The ligands IMes (MesNC 3 H 2 NMes) and SIMes react with RuHCl(PPh 3 ) 3 to give RuH(SIMes-H)(PPh 3 ) 2 ( 1 ) and RuH(IMes-H)(PPh 3 ) 2 ( 2 ), respectively, where there is cyclometalation of a C−H bond of an ortho Ar−CH 3 group. The reaction of RuHCl(PPh 3 ) 3 with I t Bu ( t BuNC 3 H 2 N t Bu) produces I t Bu·HCl and a red solution that, upon reaction with H 2, produces the dihydride Ru(H) 2 (I t Bu)(PPh 3 ) 2 as a mixture of the two isomers 3a (trans PPh 3 ligands) and 3b (cis PPh 3 ). These isomers have an agostic C−H bond from a methyl group. There is an interesting windshield wiper exchange of coordinated tert -butyl groups occurring in isomer 3a, as monitored in solution by VT NMR with a free energy of activation of 11.8 kcal/mol. The reaction of 2 with CO at 20 °C produces ( OC -34)-RuH(CO)(PPh 3 ) 2 (IMes-H) ( 4 ), while at 68 °C it forms the Ru(0) complex Ru(CO) 3 (PPh 3 )(IMes) ( 5 ). The reaction of 2 with phenol results in the formation of RuH(η 5 -C 6 H 5 O·HOPh)(IMes)(PPh 3 ) ( 6 ). The structures of complexes 1, 3a, 5, and 6 have been characterized by single-crystal X-ray diffraction.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.009 | 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 it