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Record W2104422475 · doi:10.1139/cjc-2013-0493

Synthesis and structures of 1,3-bis(organochalcogenyl) distannatrisilabicyclo[1.1.1]pentanes

2014· article· en· W2104422475 on OpenAlexvenueno aff
Eric Moos, Timo Augenstein, Delphine Garnier, Frank Breher

Bibliographic record

VenueCanadian Journal of Chemistry · 2014
Typearticle
Languageen
FieldChemistry
TopicSynthesis and characterization of novel inorganic/organometallic compounds
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryHeteronuclear moleculeCrystallographyPropellaneTinCoupling constantNuclear magnetic resonance spectroscopySteric effectsStereochemistryBicyclic moleculeOrganic chemistry

Abstract

fetched live from OpenAlex

The heteronuclear [1.1.1]propellane Sn2Si3Mes6 (1; Mes = 2,4,6-Me3C6H2) was reacted with the dichalcogenyl compounds PhE–EPh (E = S, Se, or Te) to furnish the 1,3-bis(organochalcogenyl) distannatrisilabicyclo[1.1.1]pentanes 3 (E = S), 4 (E = Se), and 5 (E = Te). The E–E bond addition reaction is reminiscent of the formation of FcS–Sn(SiMes2)3Sn–SFc (2; Fc = ferrocenyl) reported previously. Contrary to 2, for which it was shown that its formation can be enhanced by daylight, the analogous clusters 3–5 are very sensitive to light in solution. Solid samples are, however, stable for a prolonged period of time. All three compounds were characterized in detail, including X-ray structure analyses on single crystals of 3 and 5. The core structure connectivities of the clusters were fully confirmed by 119Sn, 77Se, and 125Te NMR spectroscopy, among others. In particular, the 117Sn–119Sn coupling constant between the formally nonbonded bridgehead tin atoms nicely correlates with the interbridgehead distance, i.e., a larger distance is associated with a smaller 117Sn–119Sn coupling constant, and vice versa. This coupling is mediated by so-called “back-lobe-to-back-lobe” interactions through cage. The detection of two different 77Se–119Sn and 125Te–119Sn couplings each (i.e., 1J and 2J) further supported these findings.

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.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
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 score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.001

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 head0.008
GPT teacher head0.190
Teacher spread0.182 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations8
Published2014
Admission routes1
Has abstractyes

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