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Record W2951768891 · doi:10.1021/cm035147e

Isolation of Intermediate-Valent Ce(III)/Ce(IV) Hydrolysis Products in the Preparation of Cerium Iodates:  Electronic and Structural Aspects of Ce<sub>2</sub>(IO<sub>3</sub>)<sub>6</sub>(OH<i><sub>x</sub></i>) (<i>x</i> ≈ 0 and 0.44)

2004· article· en· W2951768891 on OpenAlexaff
Richard E. Sykora, Laura Deakin, Arthur Mar, S. Skanthakumar, L. Soderholm, Thomas E. Albrecht‐Schmitt

Bibliographic record

VenueChemistry of Materials · 2004
Typearticle
Languageen
FieldMaterials Science
TopicCrystal Structures and Properties
Canadian institutionsUniversity of Alberta
Fundersnot available
KeywordsProtonationCeriumChemistryDelocalized electronIonCrystallographyIodateElectron paramagnetic resonanceElectronic structureXANESCrystal structureParamagnetismInorganic chemistrySpectral lineIodideComputational chemistryNuclear magnetic resonance

Abstract

fetched live from OpenAlex

The layered cerium iodates Ce 2 (IO 3 ) 6 (OH x ) [ x ≈ 0 ( 1 ) and 0.44 ( 2 )] have been prepared from the reaction of (NH 4 ) 2 Ce(NO 3 ) 6 with I 2 O 5 at 180 °C in aqueous media. The structure of these compounds consists of square antiprismatic Ce centers that are bound by bridging iodate anions and one bridging oxo anion. The structure of 2 differs from that of 1 in that the bridging oxo atom is partially protonated, resulting in significant lengthening of the Ce−O bond from 2.050(1) to 2.212(2) Å. This protonation also results in partial reduction of 1 from a formally all Ce 4+ compound to an intermediate-valent ion with both Ce 3+ and Ce 4+ that is visually observed with a color change in the crystals from bright yellow to dark brown for 1 and 2, respectively. Magnetic susceptibility measurements on 1 show there to be a small paramagnetic impurity phase that is consistent with about 1% Ce 3+ in the sample. Similar measurements on 2 show that it contains at least 22% Ce 3+, determined from a measured effective moment of 1.19(5) μ B /mol Ce. This result corresponds to a formulation of 2 as Ce 2 (IO 3 ) 6 (OH 0.44 ). Analysis of Ce L 3 -edge XANES spectra supports this formulation. UV−vis diffuse reflectance spectra indicate charge-transfer or delocalization of the 4f 1 electrons in 2 . These results are discussed in terms of an intermediate-valent state in 2 that is composed of f states on Ce and p states on the bridging O. Crystallographic data (193 K): 1, orthorhombic, space group Pnma, a = 6.8297(4) Å, b = 16.6725(9) Å, c = 14.2487(8) Å, Z = 4; 2, orthorhombic, space group Pnma, a = 6.8534(4) Å, b = 16.989(1) Å, c = 14.2404(8), Z = 4.

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 score0.002

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)0.0000.000

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 head0.007
GPT teacher head0.213
Teacher spread0.206 · 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

Citations32
Published2004
Admission routes1
Has abstractyes

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