MétaCan
Menu
Back to cohort
Record W3003723009 · doi:10.1021/acs.cgd.9b01681

Short and Linear Intermolecular Tetrel Bonds to Tin. Cocrystal Engineering with Triphenyltin Chloride

2020· article· en· W3003723009 on OpenAlex
Vijith Kumar, Carl Rodrigue, David L. Bryce

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

VenueCrystal Growth & Design · 2020
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsTinCovalent bondCrystallographyElectrophileChemistryCrystal engineeringCrystal structureSupramolecular chemistryOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

Group 14 (tetrel) elements potentially provide a region of low electronic density (σ-hole) and elevated electrostatic potential, which acts as an electrophilic site to form attractive interactions with electron-rich moieties. Tetrel bonds are the result of net attractive interaction between an electrophilic region associated with a tetrel atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. Here, we describe a systematic study of the potential utility of tetrel bonds to tin for engineering novel cocrystalline architectures. We report the preparation of 10 new tetrel-bonded cocrystals of triphenyltin chloride with various Lewis bases featuring oxygen and nitrogen electron donor atoms. Single-crystal X-ray diffraction studies reveal that the formation of short and directional Sn···O and Sn···N tetrel bonds along the extension of the Cl–Sn covalent bond is chiefly responsible for the self-assembly of the two complementary components. Normalized contact parameters of approximately 0.6, tetrel bond angles of approximately 170–180°, and lengthening of the covalent Sn–Cl bond by 6–9% upon cocrystallization are all characteristic of the observed tetrel bonds to tin. Substantial changes in the isotropic 119Sn chemical shifts suggest the persistence of the tin tetrel bond in solution.

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)
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 score0.487
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

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)0.0000.000

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 head0.015
GPT teacher head0.213
Teacher spread0.198 · 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