{"id":"W4320920568","doi":"10.4236/ojic.2023.131001","title":"Effect of Changing Anion on the Crystalline Structure, Crystal Structure, Hirschfield Surface, IR and NMR Spectroscopy of Organic Salts and Hybrid Compounds: C&amp;lt;sub&amp;gt;6&amp;lt;/sub&amp;gt;H&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt;(NH&amp;lt;sub&amp;gt;3&amp;lt;/sub&amp;gt;)&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;Cl&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; (I), &amp;lt;i&amp;gt;β&amp;lt;/i&amp;gt;-[C&amp;lt;sub&amp;gt;6&amp;lt;/sub&amp;gt;H&amp;lt;sub&amp;gt;10&amp;lt;/sub&amp;gt;N&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;]&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;ZnCl&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt; (II), Respectively","year":2023,"lang":"en","type":"article","venue":"Open Journal of Inorganic Chemistry","topic":"Solid-state spectroscopy and crystallography","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Institute of Circulatory and Respiratory Health; Centre National de la Recherche Scientifique","keywords":"Monoclinic crystal system; Infrared spectroscopy; Cationic polymerization; Crystallography; Crystal structure; Spectroscopy; Single crystal; Intermolecular force; Hydrogen bond; Chemistry; Chloride; Absorption spectroscopy; Nuclear magnetic resonance spectroscopy; Hydrothermal circulation; Inorganic chemistry; Stereochemistry; Molecule; Organic chemistry; Chemical engineering","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001696662,0.000280416,0.0001470539,0.0001071285,0.0001411215,0.000379371,0.0003493801,0.0002288246,0.003809161],"category_scores_gemma":[0.0005171497,0.0001234619,0.00008364722,0.0002249504,0.0003047882,0.0002850645,0.0001658778,0.0004186374,0.0004496197],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001972433,"about_ca_system_score_gemma":0.000238486,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001426367,"about_ca_topic_score_gemma":0.0009685003,"domain_scores_codex":[0.9998379,0.00002293706,0.00001619754,0.00005528483,0.00003992455,0.00002779543],"domain_scores_gemma":[0.9998067,0.00006364491,0.00003833153,0.00001945183,0.00004361092,0.00002825349],"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":[0.001184768,0.00004621064,0.0004988707,0.00007953049,0.00001441826,0.00009294184,0.00006628742,0.0002028761,0.9939542,0.0002011584,0.0002021854,0.003456519],"study_design_scores_gemma":[0.00001938884,0.000161344,0.0008826546,0.000003604502,0.00001002529,0.00004252842,0.00003782953,0.0004834895,0.9966165,0.0000229544,0.001713185,0.000006540119],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995255,0.0005275926,0.0007251271,0.00009785267,0.00006488041,0.00001271615,0.0004442577,0.00007063069,0.002801957],"genre_scores_gemma":[0.993593,0.0005899632,0.001350131,0.00009027185,0.00002286203,0.00002252876,0.0006991168,0.00004773602,0.003584353],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003809161,"threshold_uncertainty_score":0.01274288,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0169045461979119,"score_gpt":0.2701437455360683,"score_spread":0.2532391993381564,"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."}}