Linear Dichroism in the X-ray Absorption Spectra of Linear<i>n</i>-Alkanes
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Bibliographic record
Abstract
The nature of the linear dichroism in the near-edge X-ray absorption fine structure (NEXAFS) spectra of linear n-alkanes is a matter of long-standing controversy. Linear dichroism in the carbon 1s --> sigma*(C-C) transition has been interpreted within a building block model and a molecular orbital model, leading to two different descriptions for the angular dependence of this feature. When used for measurement of molecular orientation, the application of these two different models will lead to different results. We have explored the linear dichroism in the carbon 1s NEXAFS spectra of single crystals of the linear n-alkane hexacontane (n-C60H122). An analysis of the angular dependence in this spectrum shows that the transition dipole moment associated with the carbon 1s --> sigma*(C-C) transition is oriented along the macromolecular chain axis, contradicting the predictions of the building block model. However, other transitions are observed in the sigma*(C-H) and the sigma*(C-C) bands that are orthogonal to the dominant transitions for each band. We also observe that radiation damage can be manifest in the form of molecular reorientation in highly ordered organic thin films.
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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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it