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Record W2016383349 · doi:10.1021/cg050578q

Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I)

2006· article· en· W2016383349 on OpenAlex

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.

Bibliographic record

VenueCrystal Growth & Design · 2006
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsWestern University
Fundersnot available
KeywordsChemistryHydrogen bondCrystallographyIntermolecular forcePolymerSolventSolid-stateStereochemistryMoleculePhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

Reaction of the ligands 1,2-C 6 H 4 {NHC( O)-4-C 5 H 4 N} 2 ( 1 ) and 1,2-C 6 H 4 {NHC( O)-3-C 5 H 4 N} 2 ( 2 ) with silver(I) salts AgX, X = CF 3 CO 2, NO 3, CF 3 SO 3, and PF 6, gave the corresponding complexes [(AgX)(μ-LL)] n, 3a − 4d ( 3a − 3d: LL = 1; 4a − 4d: LL = 2; a, X = CF 3 CO 2; b, X = NO 3; c, X = CF 3 SO 3; d, X = PF 6 ). The complexes probably exist in solution primarily as the disilver(I) macrocyclic complexes [{AgX(μ-LL)} 2 ] or [Ag 2 (μ-LL) 2 ]X 2, but in the solid state they may exist as either macrocycles or polymers [{AgX(μ-LL)} n ] or [Ag n (μ-LL) n ]X n . The silver(I) centers have distorted tetrahedral stereochemistry when X = CF 3 CO 2 or NO 3 but roughly linear stereochemistry when X = CF 3 SO 3 or PF 6, and it is argued that the hierarchy of control in the self-assembly process is by the bonds Ag−N > Ag−O > NH···O C when X = CF 3 CO 2 or NO 3, but Ag−N > NH···O C > Ag···O or Ag···F when X = CF 3 SO 3 or PF 6 . In complexes 3a and 3b, macrocyclic complexes are connected to form polymers or sheets, respectively, through bridging anions, whereas polymers of 4a are connected through bridging anions to form a double-stranded polymer. In all these cases, network structures are formed through formation of intermolecular hydrogen bonds NH···O C, and these porous networks contain large solvent-filled channels. In the molecular materials assembled using the more weakly bonding anions (X = CF 3 SO 3 or PF 6 ), the network structures are more compact, and they do not contain solvent molecules. Complexes 3c and 4d exist as polymers, whereas 4c exists as a macrocycle. These complexes are further connected through hydrogen bonding and through weak Ag···O or Ag···F interactions to form network structures. Complexes 3a − 3c and 4a adopt the polar anti conformation of the two amidopyridyl units of the bidentate ligands, and 4d adopts a similar conformation with an intramolecular NH···O C bond, but complex 4c adopts the nonpolar syn conformation. Complex 4d is unusual because it undergoes spontaneous resolution to give crystals in which chiral polymers are self-assembled to give a chiral network.

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 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 score0.011
Threshold uncertainty score0.928

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
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 head0.017
GPT teacher head0.234
Teacher spread0.217 · 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