Novel Pressure-Induced Molecular Transformations Probed by In Situ Vibrational Spectroscopy
Bibliographic record
Abstract
Pressure-induced structural change in molecular systems has demonstrated strong promises to access previously unexplored, novel structures and new properties in molecular materials with practical applications. The in situ structural characterization is of fundamental importance to understand the exotic structures and the possible transformation mechanisms. Among all the spectroscopic probes, vibrational spectroscopy that include Raman and Fourier-transform infrared (FTIR) spectroscopy and microscopy allow for highly efficient, sensitive and qualitative characterization of pressure-induced new structures and transformation processes in situ. Supported by state-of-the-art, highly customized spectroscopic systems in-house and at synchrotron facilities, molecular structures and materials properties can be probed in a broad pressure-temperature range with very high spectral and spatial resolutions. Complementary to each other, Raman and IR spectroscopy provide valuable information in molecular structures, nature of bonding, lattice dynamics as well as intermolecular interactions. In this chapter, a comprehensive and critical review of examples of pressure-induced molecular transformations in a wide variety of molecules and materials probed by vibrational spectroscopy is provided. The purpose of this chapter is to give readers the most recent advances in high-pressure chemistry and materials research by demonstrating the power of vibrational spectroscopy as a highly effective in situ structural characterization tool.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.002 |
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".