Parity Effects in the Physicochemical Properties of Self-Assembled Monolayers
Bibliographic record
Abstract
Large-area metal/molecule/metal junctions based on self-assembled monolayers (SAMs) of organothiolates are of interest for investigations of charge transport across ultrathin organic films and the fabrication of molecular electronic devices. Several recent reports demonstrate an odd-even dependency in the rate of charge transport through SAMs of the insulating n-alkanethiolates (CH3C n S)1,2 or the redox-active ferrocenylalkanethiolates (FcC n S)3. This parity effect has been attributed to differences in the orientation of the terminal functional group and alkyl chain packing in SAMs consisting of an odd versus even number of methylene repeat units. We have sought experimental evidence for odd-even distinctions in the molecular organization of these SAMs using infrared reflection-adsorption spectroscopy (IRRAS), electrochemistry, and contact angle goniometry. The findings of the investigations will be presented in this talk and the molecular origin of the parity effect of SAM macroscopic properties will be discussed. References: 1. Baghbanzadeh, M.; Simeone, F. C.; Bowers, C. M.; Liao, K.-C.; Thuo, M.; Baghbanzadeh, M.; Miller, M. S.; Carmichael, T. B.; Whitesides, G. M., Odd–Even Effects in Charge Transport across n-Alkanethiolate-Based SAMs. J. Am. Chem. Soc. 2014, 136, 16919- 16925. 2. Chen, J.; Giroux, T. J.; Nguyen, Y.; Kadoma, A. A.; Chang, B. S.; VanVeller, B.; Thuo, M. M., Understanding Interface (Odd–Even) Effects in Charge Tunneling using a Polished EGaIn Electrode. Phys. Chem. Chem. Phys. 2018, 20, 4864-4878. 3. Thompson, D.; Nijhuis, C. A., Even the Odd Numbers Help: Failure Modes of SAM-Based Tunnel Junctions Probed via Odd-Even Effects Revealed in Synchrotrons and Supercomputers. Acc. Chem. Res. 2016, 49, 2061-2069.
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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 | 0.001 |
| 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".