{"id":"W1577523984","doi":"10.1021/ic8015673","title":"<sup>77</sup>Se NMR Spectroscopic, DFT MO, and VBT Investigations of the Reversible Dissociation of Solid (Se<sub>6</sub>I<sub>2</sub>)[AsF<sub>6</sub>]<sub>2</sub>·2SO<sub>2</sub>in Liquid SO<sub>2</sub>to Solutions Containing 1,4-Se<sub>6</sub>I<sub>2</sub><sup>2+</sup>in Equilibrium with Se<sub><i>n</i></sub><sup>2+</sup>(<i>n</i>= 4, 8, 10) and Seven Binary Selenium Iodine Cations: Preliminary Evidence for 1,1,4,4-Se<sub>4</sub>Br<sub>4</sub><sup>2+</sup>and<i>cyclo</i>-Se<sub>7</sub>Br<sup>+</sup>","year":2009,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystal Structures and Properties","field":"Materials Science","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of New Brunswick","funders":"Emil Aaltosen Säätiö; Natural Sciences and Engineering Research Council of Canada; University of Warwick","keywords":"Chemistry; Solid solution; Crystallography; Dissociation (chemistry); Nuclear magnetic resonance spectroscopy; Physical chemistry; Stereochemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts","scholarly_communication","open_science","research_integrity"],"consensus_categories":["metaepi_narrow","sts","research_integrity"],"category_scores_codex":[0.009655796,0.01222686,0.01220982,0.004715892,0.007758818,0.003992401,0.008888751,0.007956265,0.0001374935],"category_scores_gemma":[0.007679404,0.01303361,0.004365862,0.01304349,0.00833383,0.009884935,0.007417448,0.01026175,0.0007218815],"about_ca_system_candidate":true,"about_ca_system_consensus":true,"about_ca_system_score_codex":0.007611134,"about_ca_system_score_gemma":0.009088189,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006754888,"about_ca_topic_score_gemma":0.001931059,"domain_scores_codex":[0.9426134,0.004726187,0.01476617,0.0145266,0.009323863,0.01404378],"domain_scores_gemma":[0.9614176,0.006289849,0.009521684,0.01020959,0.005699007,0.006862291],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.009026797,0.00360622,0.003118701,0.006298784,0.002147873,0.0005936571,0.01727111,0.03520704,0.9044287,0.0002334886,0.01155206,0.006515564],"study_design_scores_gemma":[0.01574755,0.005365963,0.004179016,0.0093237,0.004466509,0.002543578,0.00847091,0.02313685,0.9106496,0.003188332,0.0006260416,0.01230193],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9550371,0.0104717,0.001260877,0.005268709,0.001640665,0.01497972,0.008099582,0.002944516,0.0002971963],"genre_scores_gemma":[0.9641732,0.01607836,0.000966402,0.00288396,0.004131418,0.004383688,0.004426054,0.002876188,0.00008074547],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01880417,"threshold_uncertainty_score":0.9970415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01954806531402623,"score_gpt":0.2450635004388587,"score_spread":0.2255154351248325,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}