The Electronic Ground State of [V(urea)<sub>6</sub>]<sup>3+</sup> Probed by NIR Luminescence, Electronic Raman, and High-Field EPR Spectroscopies
Bibliographic record
Abstract
The electronic structure of a trigonally distorted vanadium(III) complex, [V(urea)6](ClO4)3, and its deuterated analogue, [V(urea-d4)6](ClO4)3 has been investigated with Raman, luminescence, and high-frequency high-field electron paramagnetic resonance spectroscopies and with magnetic measurements. A broad electronic Raman transition is observed at around 1400 cm(-1) and attributed to a transition to the (3)E (D3) component of the (3)T1g (O(h)) ground state. The same splitting is seen in the near-infrared luminescence spectrum in the form of a similarly broad peak at 8450 cm(-1), 1400 cm(-1) lower in energy than the (1)E --> (3)A2 spin-flip transition. Powder high-frequency and high-field electron paramagnetic resonance spectra, magnetic susceptibilities, and magnetization studies give a precise measurement of the zero-field splitting and of the g values in this complex (D = 6.00(2) cm(-1), E = 0.573(6) cm(-1), g(x) = 1.848(2), g(y) = 1.832(4), and g(z) = 1.946(7)). A set of angular overlap model parameters is proposed that reproduces all spectroscopic observations, and an analysis of the influence of the bonding of urea on the trigonal distortion of the complex is given.
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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) | 0.001 | 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".