Ligand Influences on Copper Molybdate Networks: The Structures and Magnetism of [Cu(3,4‘-bpy)MoO<sub>4</sub>], [Cu(3,3‘-bpy)<sub>0.5</sub>MoO<sub>4</sub>], and [Cu(4,4‘-bpy)<sub>0.5</sub>MoO<sub>4</sub>]·1.5H<sub>2</sub>O
Bibliographic record
Abstract
The reactions of a Cu(II) salt, MoO(3), and the appropriate bipyridine ligand yield a series of bimetallic oxides, [Cu(3,4'-bpy)MoO(4)] (1), [Cu(3,3'-bpy)(0.5)MoO(4)] (2), and [Cu(4,4'-bpy)(0.5)MoO(4)].1.5H(2)O (3.1.5H(2)O). The structures of 1-3 exhibit three-dimensional covalent frameworks, constructed from bimetallic oxide layers tethered by the dipodal organoimine ligands. However, the [CuMoO(4)] networks are quite distinct. For structure 1, the layer consists of corner-sharing [MoO(4)] tetrehedra and [CuN(2)O(3)] square pyramids, while the layer of 2 is constructed from [MoO(4)] tetrehedra and binuclear [Cu(2)O(6)N(2)] units of edge-sharing copper square pyramids. The oxide substructure of 3 consists of [MoO(4)] tetrahedra corner-sharing with tetranuclear clusters of edge-sharing [CuO(5)N] octahedra. Crystal data: C(10)H(8)N(2)O(4)CuMo (1), orthorhombic Pbca, a = 12.4823(6) A, b = 9.1699(4) A, c = 19.5647(9) A, V = 2239.4(1) A(3), Z = 8; C(5)H(4)NO(4)CuMo (2), triclinic P, a = 5.439(1) A, b = 6.814(1) A, c = 10.727(2) A, alpha = 73.909(4)(o), beta = 78.839(4)(o); gamma = 70.389(4)(o); V = 357.6(1) A(3), Z = 2; C(10)H(8)N(2)O(8)Cu(2)Mo(2).3H(2)O 3.1.5H(2)O, triclinic P, a = 7.4273(7) A, b = 9.2314(8) A, c = 13.880(1) A, alpha = 71.411(2)(o), beta = 88.528(2)(o), gamma = 73.650(2)(o), V = 863.4(1) A(3), Z = 2. The magnetic properties of 1-3 arise solely from the presence of the Cu(II) sites, but reflect the structural differences within the bimetallic oxide layers. Compound 1 exhibits magnetic behavior consistent with ferromagnetic chains which couple antiferromagnetically at low temperature. Compound 2 exhibits strong antiferromagnetic dimeric interactions, with the magnetic susceptibility data consistent with the Bleaney-Bowers equation. Similarly, the magnetic susceptibility of 3 is dominated by antiferromagnetic interactions, which may be modeled as a linear S = 1/2 Heisenberg tetramer.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".