Bisdithiazolyl Radical Spin Ladders
Bibliographic record
Abstract
A series of four bisdithiazolyl radicals 1a-d (R(1) = Pr, Bu, Pn, Hx; R(2) = F) has been prepared and characterized by X-ray crystallography. The crystal structure of 1a (R(1) = Pr) belongs to the tetragonal space group P42(1)m and consists of slipped π-stack arrays of undimerized radicals packed about 4 centers running along the z-direction, an arrangement identical to that found for 1 (R(1) = Et; R(2) = F). With increasing chain length of the R(1) substituent, an isomorphous set 1b-d is generated. All three compounds crystallize in the P2(1)/c space group and consist of pairs of radical π-stacks locked together by strong intermolecular F···S' bridges to create spin ladder arrays. The slipped π-stack alignment of radicals produces close S···S' interactions which serve as the "rungs" of a spin ladder, and the long chain alkyl substituents (R(1)) serve as buffers which separate the ladders from each other laterally. Variable temperature magnetic susceptibility measurements indicate that 1a behaves as an antiferromagnetically coupled Curie-Weiss paramagnet, the behavior of which may be modeled as a weakly coupled AFM chain. Stronger antiferromagnetic coupling is observed in 1b-d, such that the Curie-Weiss fit is no longer applicable. Analysis of the full data range (T = 2-300 K) is consistent with the Johnston strong-leg spin ladder model. The origin of the magnetic behavior across the series has been explored with broken-symmetry Density Functional Theory (DFT) calculations of individual pairwise exchange energies. These confirm that strong antiferromagnetic interactions are present within the ladder "legs" and "rungs", with only very weak magnetic exchange between the ladders.
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 distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| 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) | 0.144 | 0.004 |
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; both teacher heads agree on what is shown here.
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".