Physical insights into mechanistic processes in organometallic chemistry: an introduction
Bibliographic record
Abstract
The challenges of research into the mechanisms of 4d versus 3d late transition metal homogeneous catalysts is considered here, particularly catalysts containing hydrides. Included are case studies of C-H bond activation as studied in a collaboration of the Weller and McIndoe groups where a ruthenium (4d) hydride intermediate is detected using ESI-MS analysis of the catalytic mixture, and as studied in a collaboration of the Thomas and Neidig groups where a hydride transfer step involving low valent iron (3d) catalytic species is investigated using low temperature methods including Mössbauer spectroscopy. In the asymmetric hydrogenation of olefins, mechanisms are considered for rhodium (4d) vs. the newly discovered cobalt (3d) metal catalysts from the Shevlin and Chirik groups. The Hintermair group has recently described a study of a Noyori ruthenium catalyst for the ATH of acetophenone in basic 2-PrOH using a variety of flow sampling methods including flow NMR. This mechanism is highlighted along with our iron hydride work in homogeneous asymmetric hydrogenation.
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.
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 | 0.001 |
| 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) | 0.003 | 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".