THE 4.2 MICRON SPECTRA OF CO<sub>2</sub>-CO DIMER FOR BOTH THE C- AND O-BONDED ISOMERS, INCLUDING SPLITTING OF THE DEGENERATE &#957;<sub>2</sub> BEND IN THE PRESENCE OF CO
Bibliographic record
Abstract
CO$_2$-CO dimer was previously observed by high-resolution microwave and infrared spectroscopy in the form of a planar T-shaped C-bonded structure.\\footnote{A.C. Legon, A.P. Suckley, \\textit{Journal of Chemical Physics} \\textbf{91} 4440 (1989).}$^,$\\footnote{R.W. Randall, J.P.L. Summersgill, B.J. Howard, \\textit{Journal Chemical Society Faraday Transactions} \\textit{86} 1943 (1990).} More recently, spectra of a second isomer were observed in the stretching region of carbon monoxide.\\footnote{S. Sheybani-Deloui, A.J. Barclay, K.H. Michaelian, A.R.W. McKellar, N. Moazzen-Ahmadi, \\textit{Journal of Chemical Physics} \\textbf{143} 121101 (2015).} This isomer has also a planar T-shaped structure, but with the CO flipped by $180^{\\circ}$. Moreover, two intermolecular frequencies were measured for each isomer. These are in very good agreement with recent high level theoretical calculations.\\\\ \nHere, CO$_2$-CO dimer is observed in the carbon dioxide $\\nu_3$ asymmetric stretch region ($\\sim$2350 cm$^{-1}$). Both C-bonded and O-bonded isomers are analyzed for the normal isotopologue as well as for $^{13}$CO$_2$-CO and $^{16}$O$^{13}$C$^{18}$O-CO, the latter being the first observation of an asymmetrically substituted form for which all values of K$_a$ are allowed. Combination bands involving the lowest in-plane intermolecular mode are also observed yielding frequencies of 24.51 \\wn for the C-bonded form and 14.37 \\wn for the O-bonded form. \nIn addition, two weak bands near 2337 \\wn are assigned to CO$_2$ hot band transitions (01$^{1}$1) - (01$^{1}$0), yielding the splitting of the degenerate CO$_2$ bend into in-plane and out-of-plane components due to the presence of the CO. This splitting has rather different values for the C- and O- bonded isomers, 4.56 and 1.59 \\wn, respectively, with the out-of-plane mode higher in energy than the in-plane for both cases.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.010 | 0.001 |
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 source (direct Gemma or distilled Codex), 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".