Cadmium complexes of thiones. Part II.<sup>1</sup> A synthetic, solution, and solid-state MAS <sup>111/113</sup>Cd NMR study of cadmium complexes of 1,3-thiazolidine-2-thione, and the structures of [tetrakis(1,3-thiazolidine-2-thione)cadmium] trifluoromethanesulfonate ([Cd(C<sub>3</sub>H<sub>5</sub>NS<sub>2</sub>)<sub>4</sub>](CF<sub>3</sub>SO<sub>3</sub>)<sub>2</sub>) and [tetrakis(1,3-thiazolidine-2-thione)cadmium][tetrakis(nitrato-<i>O,O</i><i>'</i>)cadmate] ([Cd(C<sub>3</sub>H<sub>5</sub>NS<sub>2</sub>)<sub>4</sub>][Cd(O<sub>2</sub>NO)<sub>4</sub>])
Bibliographic record
Abstract
Treatment of Cd(O3SCF3)2 with the stoichiometric quantity of 1,3-thiazolidine-2-thione (tztH) allows isolation of [Cd(tztH)4](O3SCF3)2 (1). When tztH:Cd [Formula: see text] 2 the reaction of Cd(NO3)2·4H2O with tztH leads to [Cd(tztH)4][Cd(O2NO)4] (2). The structures of both 1 and 2 have been determined by single crystal X-ray analysis. Colourless crystals of 1 are orthorhombic, space group Fdd2, with eight molecules per unit cell (Z = 8) of dimensions a = 20.139(3), b = 23.332(5), c = 14.214(3) Å. Those of 2 are tetragonal, space group I [Formula: see text], with four molecules per unit cell (Z = 4) of dimensions a = 13.8853(11), c = 8.077(2) Å. The discrete homoleptic cation [Cd(tztH)4]2+ is characterized for the first time in 1 and 2. The cations are of point group symmetry C2 and S4 in 1 and 2, respectively. In both cases the ligands are S-bound, and the CdS4 kernel is a squashed tetrahedron. In 2, the eight-coordinate anion [Cd(O2NO)4]2- is characterized for the second time. 113Cd CP MAS NMR data are reported for solid 1 and 2, and also for solids produced by fusing Cd(NO3)2·4H2O with different molar ratios amounts of tztH, and by fusing Cd(O3SCF3)2 with six mol equivalents of tztH. In the Cd(NO3)2·4H2O:tztH mixtures, species identified include unreacted cadmium salt 2 ([Cd(tztH)4](NO3)2) and possibly Cd(tztH)3(NO3)2. [Cd(tztH)4](NO3)2 becomes the major species only when a significant excess of tztH is used. In the mixtures with tztH:Cd > 4, neither Cd(NO3)2·4H2O nor Cd(O3SCF3)2 form complexes containing more than four tztH ligands. Reduced-temperature 111Cd NMR data are reported for Cd(ClO4)2·6H2O:tztH mixtures in MeOH. Species identified are Cd(tztH)w2+(solv) (w = 03).Key words: 1,3-thiazolidine-2-thione, cadmium complexes, X-ray analysis, 113Cd CP MAS NMR, solution 111Cd NMR, tetrakis(1,3-thiazolidine-2-thione)cadmium(2+) cation, tetrakis(nitrato-O,O')cadmate(2) anion.
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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) | 0.002 | 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".