{"id":"W2328027298","doi":"10.1021/ic401149h","title":"Role Played by Isopropyl Substituents in Stabilizing the Putative Triple Bond in Ar′EEAr′ [E = Si, Ge, Sn; Ar′ = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>3</sub>-2,6-Pr<sup>i</sup><sub>2</sub>)<sub>2</sub>] and Ar*PbPbAr* [Ar* = C<sub>6</sub>H<sub>3</sub>-2,6-(C<sub>6</sub>H<sub>2</sub>-2,4,6-Pr<sup>i</sup><sub>3</sub>)<sub>2</sub>]","year":2013,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Synthesis and characterization of novel inorganic/organometallic compounds","field":"Chemistry","cited_by":32,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Chemistry; Valence (chemistry); van der Waals force; Crystallography; Isopropyl; Natural bond orbital; Generalized valence bond; Hyperconjugation; Computational chemistry; Bond length; Bond order; Density functional theory; Crystal structure; Molecule; Medicinal chemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001551169,0.0002302581,0.0001428107,0.00009636505,0.0002361358,0.0002605392,0.0005029059,0.0002473904,0.002616115],"category_scores_gemma":[0.0002761555,0.0001540396,0.000175124,0.00012821,0.000274127,0.0004202274,0.0003613776,0.00054807,0.0004249932],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001230006,"about_ca_system_score_gemma":0.0001588977,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004767962,"about_ca_topic_score_gemma":0.000636586,"domain_scores_codex":[0.9999354,0.0000112162,0.000003549414,0.00001435047,0.00001178571,0.00002363968],"domain_scores_gemma":[0.999898,0.00003408612,0.00002622117,0.00001781157,0.00001264969,0.00001122272],"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":[0.001135443,0.0001421092,0.00124798,0.0005171907,0.00003733879,0.0004355303,0.0003602061,0.003285434,0.9519878,0.01763283,0.0006000653,0.02261811],"study_design_scores_gemma":[0.00004883483,0.001890557,0.004616682,0.00004395279,0.00007457466,0.0004976152,0.0003542644,0.008475332,0.973762,0.001709705,0.008489698,0.00003674982],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890732,0.0003994717,0.002952066,0.00008369605,0.00003264573,0.00001579677,0.00007227096,0.0000570591,0.007313751],"genre_scores_gemma":[0.9972274,0.0002768599,0.001258959,0.00004398964,0.000004700482,0.00001550379,0.00008938473,0.00002141346,0.00106174],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002616115,"threshold_uncertainty_score":0.00875175,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00869732906323529,"score_gpt":0.2013894492945436,"score_spread":0.1926921202313084,"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."}}