{"id":"W4386167479","doi":"10.26434/chemrxiv-2023-tvmr0","title":"Relaxation and ligand hyperfine effects in an isostructural early lanthanide series [Ln(Cptt)3] (Ln = Ce, Nd, Sm; Cptt = C5H3tBu2-1,3) by pulsed EPR spectroscopy","year":2023,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Lanthanide and Transition Metal Complexes","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Research Council; Engineering and Physical Sciences Research Council; China Scholarship Council; Natural Sciences and Engineering Research Council of Canada; European Commission; Ministry of Defence; University of Manchester; Royal Society","keywords":"Isostructural; Electron paramagnetic resonance; Lanthanide; Hyperfine structure; Chemistry; Crystallography; Spectroscopy; Relaxation (psychology); Analytical Chemistry (journal); Physical chemistry; Nuclear magnetic resonance; Crystal structure; Ion; Atomic physics","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004981497,0.0005709701,0.0008104903,0.0002204183,0.000188613,0.0004811324,0.000448371,0.0003908257,0.0001591911],"category_scores_gemma":[0.0001212262,0.0005203645,0.0001107852,0.0002893736,0.0002290958,0.0006165816,0.0002987067,0.0005722805,0.0001580761],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007860767,"about_ca_system_score_gemma":0.00008215165,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007457889,"about_ca_topic_score_gemma":0.0005058466,"domain_scores_codex":[0.9970167,0.0002092974,0.0005921803,0.001152483,0.0004284655,0.000600818],"domain_scores_gemma":[0.9985721,0.0001492584,0.0003010468,0.000672406,0.0001005197,0.000204712],"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":[0.0002043626,0.00004645941,0.005516781,0.0005541467,0.00002209895,0.00007072245,0.0006074835,0.0000220625,0.9923726,0.0001739759,0.0003460074,0.00006334663],"study_design_scores_gemma":[0.000879488,0.0002358625,0.06372679,0.0003484477,0.00006508246,0.00002494892,0.00006871193,0.0001063541,0.9233093,0.01058057,0.00006125923,0.0005932401],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965594,0.0005201664,0.0001835969,0.0003644409,0.001041224,0.0007164961,0.0001382261,0.0003314862,0.0001449219],"genre_scores_gemma":[0.9957832,0.0001859827,0.002396417,0.0001084514,0.0003056495,0.0001106392,0.0005529735,0.00008900909,0.0004676972],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06906331,"threshold_uncertainty_score":0.9997248,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01754050006999661,"score_gpt":0.2511155113115855,"score_spread":0.2335750112415889,"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."}}