STRUCTURAL ANALYSIS OF 2-FLUOROPHENOL AND 3-FLUOROPHENOL USING FTMW SPECTROSCOPY
Bibliographic record
Abstract
The ground states of 2-fluorophenol (2-FPh) and 3-fluorophenol (3-FPh) were studied using Fourier transform microwave (FTMW) techniques to record their rotational spectra in the range of 6 to 26 GHz. Two planar conformers of similar energy were observed for 3-FPh (cis, trans) while only the lowest energy conformer (cis) of 2-FPh was observed due to the stabilizing effect of an intramolecular interaction between fluorine and OH. Rotational constants derived from spectra of the $^{13}$C analogs, observed in natural abundance, were used to calculate the substitution (r$_{s}$) and effective ground state (r$_{0}$) parameters for cis-2-FPh and trans-3-FPh in order to study the effect of fluorination at sites along the benzene backbone. Geometry optimization at the MP2/6-311++G(2d,2p) level was used obtain the equilibrium (r$_{e}$) structures for comparison. Furthermore, natural bond order (NBO) calculations provided supporting information of a OH•••F interaction in cis-2-FPh.
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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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.023 | 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".