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Record W2766625528 · doi:10.1021/acs.inorgchem.7b01944

High Nuclearity Assemblies and One-Dimensional (1D) Coordination Polymers Based on Lanthanide–Copper 15-Metallacrown-5 Complexes (Ln<sup>III</sup> = Pr, Nd, Sm, Eu)

2017· article· en· W2766625528 on OpenAlexaff
Anna V. Pavlishchuk, Sergey V. Kolotilov, Mat­thias Zeller, S. E. Lofland, Laurence K. Thompson, Anthony W. Addison, A.D. Hunter

Bibliographic record

VenueInorganic Chemistry · 2017
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsMemorial University of Newfoundland
FundersFP7 People: Marie-Curie ActionsBureau of Educational and Cultural AffairsNational Academy of Sciences of UkraineDrexel University
KeywordsChemistryCrystallographyLanthanideCoordination polymerMoleculeMethanolCrystal structurePolymerSolventStereochemistryIonOrganic chemistry

Abstract

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Complexes {[LnCu 5 (GlyHA) 5 ( m -bdc)(H 2 O) 4– x ] 2 [LnCu 5 (GlyHA) 5 (SO 4 )( m -bdc)(H 2 O) 4 ] 2 }·(30 + 2 x )H 2 O (where GlyHA 2– = glycinehydroxamate, m -bdc 2– = m -phthalate; Ln = Pr and x = 0.21 for compound 1, or Ln = Sm and x = 0.24 for 3 ) and one-dimensional (1D) coordination polymers {[NdCu 5 (GlyHA) 5 (H 2 O) 5 ( m -bdc)] n n [NdCu 5 (GlyHA) 5 (H 2 O) 4 (μ-CO 3 )( m -bdc)]}·13 n H 2 O ( 2 ) and {[EuCu 5 (GlyHA) 5 (H 2 O) 3 ]( m -bdc) 2 [EuCu 5 (GlyHA) 5 ( m -bdc)(H 2 O) 3 ]} n ·17 n H 2 O ( 4 ) were obtained starting from the 15-metallacrown-5 complexes {[LnCu 5 (GlyHA) 5 (SO 4 )(H 2 O) 6.5 ]} 2 (SO 4 )·6H 2 O (Ln = Pr, Nd, Sm, Eu) by the partial or complete metathesis of sulfate anions with m -phthalate. Compounds 1 and 3 contain unprecedented quadruple-decker neutral metallacrown assemblies, where the [LnCu 5 (GlyHA) 5 ] 3+ cations are linked by m -phthalate dianions. In contrast, in complexes 2 and 4, these components assemble into 1D chains of coordination polymers, the adjacent {[NdCu 5 (GlyHA) 5 (H 2 O) 5 ( m -bdc)] + } n 1D chains in 2 being separated by discrete [NdCu 5 (GlyHA) 5 (H 2 O) 4 (μ-CO 3 )( m -bdc)]} − complex anions. The crystal lattices of 2 and 4 contain voids filled by solvent molecules. Desolvated 4 is able to absorb up to 0.12 cm 3 /g of methanol vapor or 0.04 cm 3 /g of ethanol at 293 K. The isotherm for methanol absorption by compound 4 is consistent with a possible “gate opening” mechanism upon interaction with this substrate. The χ M T vs T data for complexes 1 – 4 and their simpler starting materials {[LnCu 5 (GlyHA) 5 (SO 4 )(H 2 O) 6.5 ]} 2 (SO 4 )·6H 2 O (Ln(III) = Pr, Nd, Sm, Eu) were fitted using an additive model, which takes into account exchange interactions between lanthanide(III) and copper(II) ions in the metallamacrocycles via a molecular field model. The exchange interactions between adjacent Cu(II) ions in metallacrown fragments were found to fall in the range of −47 < J Cu–Cu < −63 cm –1 . These complexes are the first examples of a Ln(III)-Cu(II) 15-metallacrowns-5 (Ln(III) = Pr, Nd, Sm, Eu), for which values of exchange parameters have now been reported.

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 score0.001
Threshold uncertainty score0.004

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)0.0010.000

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 head0.017
GPT teacher head0.241
Teacher spread0.224 · 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

Citations21
Published2017
Admission routes1
Has abstractyes

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