Gas-Phase Reactions of Transition-Metal Ions with Hexafluorobenzene: Room-Temperature Kinetics and Periodicities in Reactivity
Bibliographic record
Abstract
An inductively coupled plasma (ICP) selected-ion flow tube tandem mass spectrometer has been employed in a systematic survey of room-temperature reactions of C 6 F 6 with 29 transition-metal ions. The atomic ions were produced at ca. 5500 K in an ICP source and were allowed to decay radiatively and to thermalize by collisions with Ar and He atoms prior to reaction, although for some atomic ions, this quenching may be incomplete. Rate coefficients and product distributions were measured for the reactions of first-row atomic ions from Sc + to Zn +, of second-row atomic ions from Y + to Cd + (excluding Tc + ), and of third-row atomic ions from La + to Hg + . Marked differences were observed for reactivities of early and late transition metal cations with regard to both the reaction efficiency and the type of reaction pathway. Remarkable multiple (up to four) fluorine atom abstraction, proceeding close to the collision rate, dominated the chemistry observed with early transition metal cations while simple association of up to two molecules of C 6 F 6 to the metal cation dominated the chemistry of late transition metal cations. Correlations were found between the electronic configuration of the metal cation and the nature of the reaction path and the reaction efficiency. Only the early third-row Hf +, Ta +, and W + transition-metal ions exhibited some C−C and C−F bond-dissociation channels leading to ring cleavage.
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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) | 0.000 | 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 | 0.001 |
| 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; 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".