Spectroscopy of the XeC<sub>2</sub> molecule in xenon, argon, and krypton matrices
Bibliographic record
Abstract
A self-igniting DC-electric discharge of C 2 H 2 in Xe (matrix gas) or C 2 H 2 and Xe in Ar or Kr (matrix gas) is used to produce and study the XeC 2 molecule in these various rare gases at 12 K. Unlike in Ar and Kr, the well-known electronic spectra of C 2 is completely absent in a Xe matrix. This together with annealing experiments in Ar matrices indicate that ground state Xe and C 2 react uniquely and without a barrier to form the XeC 2 molecule. The IR-active C-C stretch of this compound is found to be close to the C-C stretching frequency of the C 2 anion, in excellent agreement with our density functional theoretical (DFT) calculations, which yield a XeCC singlet species bent by 148.6° and with substantial charge separation approaching Xe + C 2 and a notably short (2.107 Å) XeC bond. The spectra of the Xe 13 C 12 C, Xe 12 C 13 C, and Xe 13 C 13 C species are also obtained and the isotopic shifts are in excellent agreement with the DFT predictions, although not sufficient to distinguish a bent from a linear structure. Numerous broad absorptions centered near 423 nm (in Xe) are observed, which are clearly due to the XeC 2 molecule. Laser-induced fluorescence studies reveal a near-IR emission likely due to XeC 2 but not yet understood. Infrared spectra in the Xe matrix reveal also formation of the HXeCCH molecule.Key words: matrix-isolation spectroscopy, rare gas compounds, charge transfer compounds, xenoncarbon bonds.
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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".