{"id":"W4231957413","doi":"10.26434/chemrxiv.14706612","title":"Bleaching the Record: After 200 Years, Single Crystal X-Ray Crystallography Reveals the Structure and Hydrogen-Bonding Properties of Hypochlorite and Hypobromite Ions in the Solid State","year":2021,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Groundwater and Isotope Geochemistry","field":"Earth and Planetary Sciences","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"University College London; Sveučilište u Zagrebu","keywords":"Chemistry; Hypochlorite; Crystal structure; Valence (chemistry); Sodium hypochlorite; Raman spectroscopy; Crystallography; Solid-state; Hydrogen bond; Ion; Single crystal; X-ray crystallography; Inorganic chemistry; Molecule; Physical chemistry; Organic chemistry; Diffraction","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007115426,0.0003590141,0.0003131602,0.0003766987,0.0004445935,0.001420634,0.0009576588,0.0007631603,0.02477713],"category_scores_gemma":[0.001474726,0.0002771317,0.0001665822,0.000800983,0.0006335691,0.001283197,0.0009232027,0.001984279,0.01087931],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001887498,"about_ca_system_score_gemma":0.0008012287,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004158182,"about_ca_topic_score_gemma":0.006993241,"domain_scores_codex":[0.9996901,0.0000133164,0.00002253221,0.00008659593,0.0001624898,0.00002508722],"domain_scores_gemma":[0.9990038,0.0000833384,0.0001123207,0.0001640748,0.0005191664,0.0001173885],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0007371571,0.0001148352,0.005440903,0.002047772,0.0001088616,0.0002501473,0.0002512162,0.0007249817,0.3047718,0.01278478,0.373801,0.2989665],"study_design_scores_gemma":[0.00004343743,0.0001047814,0.01121661,0.0001127992,0.00006140838,0.0002703954,0.00009591566,0.001074098,0.1324757,0.002208628,0.8523012,0.00003496382],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"other","genre_gemma":"empirical","genre_scores_codex":[0.2524151,0.09304936,0.04443175,0.09943826,0.01778935,0.0003026575,0.08253514,0.01465673,0.3953817],"genre_scores_gemma":[0.4709883,0.04197358,0.03322057,0.01064456,0.002823156,0.0001659577,0.1012783,0.002578968,0.3363267],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.02477713,"threshold_uncertainty_score":0.08288783,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01331598578378254,"score_gpt":0.1896350332787618,"score_spread":0.1763190474949793,"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."}}