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Record W4238468234 · doi:10.26434/chemrxiv.12551627

Self-Assembly of N-Heterocyclic Carbenes on Au(111)

2020· preprint· en· W4238468234 on OpenAlex
Alex Inayeh, Ryan Groome, Ishwar Singh, Alex J. Veinot, Felipe Iima, R. H. Miwa, Cathleen M. Crudden, A. B. McLean

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueChemRxiv · 2020
Typepreprint
Languageen
FieldChemistry
TopicN-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Canadian institutionsQueen's University
FundersNatural Sciences and Engineering Research Council of CanadaCentro Nacional de Processamento de Alto Desempenho em São PauloFundação de Amparo à Pesquisa do Estado de Minas GeraisConselho Nacional de Desenvolvimento Científico e Tecnológico
KeywordsMonolayerNanotechnologyLigand (biochemistry)Self-assemblyThermal stabilitySurface modificationMaterials scienceMetalCovalent bondMoleculeRational designAnnealing (glass)ChemistryOrganic chemistryPhysical chemistry

Abstract

fetched live from OpenAlex

The production of ordered arrays of organic molecules on metallic surfaces by means of self-assembly is one of the most powerful methods for controlled patterning on the nanometer scale. Although the self-assembly of sulfurbased ligands has been studied for decades, the thermal and oxidative instability of these systems introduces challenges in many potential applications. In recent years, it has been shown that a new ligand class, N-heterocyclic carbenes (NHCs), bind to metal surfaces via a metal–carbon covalent bond, resulting in monolayers with much greater stability. However, fundamental questions surrounding self-assembly in this new ligand class remain unanswered, including the simple questions of what controls NHC orientation on the surface and under what conditions they self-assemble. Herein we describe how NHC structure, surface density, deposition temperature, and annealing temperature control mobility, thermal stability, NHC surface geometry, self-assembly, and the exact chemical nature of the surface structures. These data provide the first general set of guidelines to enable the rational design of highly ordered NHC-based monolayers. Considering that NHCs may supplant thiols as the functionalization agent of choice in a wide range of applications, a detailed understanding of their surface chemistry is crucial for the success of these next-generation monolayers.

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.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.089
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0020.002
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0010.000

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.

Opus teacher head0.018
GPT teacher head0.249
Teacher spread0.231 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it