Electric Field Effect on Condensed-Phase Molecular Systems. VIII. Vibrational Stark Effect and Dipolar Inversion in a Carbon Monoxide Crystal
Bibliographic record
Abstract
We applied a strong (≤2.6 × 10 8 V·m –1 ) external electric field across a carbon monoxide crystal film at 10 K and studied its effect on the sample with reflection–absorption infrared spectroscopy (RAIRS). The vibrational Stark effect (VSE) on the intramolecular CO stretching vibrations of the minor isotopologues ( 13 C 16 O and 12 C 18 O) reveal the spectral signature of isolated CO vibrations, decoupled from crystal phonons in the solid, as a function of the external electric field magnitude. These so-called molecular CO bands display a VSE with a sensitivity factor of 0.69 ± 0.05 cm –1 /(10 8 V·m –1 ) in crystalline CO. The VSE on the coupled CO stretching vibrations of the major isotopologue ( 12 C 16 O) was measured for crystalline and amorphous solid CO films, and the results were analyzed with the help of a classical optics model of RAIRS for thin solid films. In addition to these spectral changes due to VSE, the external electric field facilitates the head-to-tail inversion of CO dipoles in the crystal lattice as a result of electrostatic interactions. This result is the first experimental demonstration of dipole inversion in a molecular crystal induced by a DC electric field. The dipole inversion occurs slowly and irreversibly in crystalline CO, reaching a yield of up to about 20% dipole inversion at an external field strength of 2.6 × 10 8 V·m –1 at 10 K. The observed yield of dipole inversion is interpreted in terms of a thermodynamic model that accounts for the electrostatic stabilization energy of dipoles and the configurational entropy of the CO crystal. The present study demonstrates that a polarized CO crystal with reduced residual entropy can be formed by applying a strong electric field at low temperature.
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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 | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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 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".