Pulsed-field ionization electron spectroscopy and molecular structures of copper-(pyridine)<i><sub>n</sub></i> (<i>n</i> = 1, 2) complexes
Bibliographic record
Abstract
Cu-(pyridine)n (n = 1, 2) complexes are prepared in a pulsed laser ablation cluster source and identified using laser photoionization time-of-flight mass spectrometry. High-resolution electron spectra of these complexes are obtained using pulsed-field ionization zero electron kinetic energy (ZEKE) photoelectron spectroscopy. Metal-pyridine and pyridine-based vibrational modes are identified by comparing the ZEKE spectra with previous spectroscopic studies of isolated pyridine, pyridine adsorbed on metal surfaces, and other Cu complexes. Ground electronic states and molecular structures are determined by comparing the ZEKE spectra with ab initio and multidimensional Franck-Condon factor calculations. Metal-pyridine bond energies of the neutral complexes are derived from the measured ionization energies and thermochemical relations. The mono-ligand complex has C2v symmetry in both the neutral and ionized forms, whereas the di-ligand complex has an eclipsed pyridine configuration with D2h and C2 symmetries for the ion and neutral species, respectively. Although both the mono- and di-pyridine Cu complexes are formed by Cu binding to nitrogen atoms, important binding differences are found between these two complexes.Key words: pulsed-field ionization, ZEKE, photoelectron, ab initio, copper-pyridine complexes.[Traduit par la Rédaction]
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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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 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".