{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaresearch","metaepi_narrow","metaepi_broad","sts","scholarly_communication","open_science","research_integrity","insufficient_payload"],"consensus_categories":["metaepi_narrow","sts","open_science","research_integrity"],"category_scores_codex":[0.01160464,0.0235684,0.02055172,0.00732302,0.009038838,0.009457799,0.01774613,0.01665176,0.0007344203],"category_scores_gemma":[0.01086686,0.02658213,0.009417984,0.02064241,0.009659365,0.01260679,0.01103902,0.02469113,0.008185854],"about_ca_system_candidate":true,"about_ca_system_consensus":true,"about_ca_system_score_codex":0.01669097,"about_ca_system_score_gemma":0.01056771,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006141161,"about_ca_topic_score_gemma":0.002809845,"domain_scores_codex":[0.9067974,0.005511609,0.0240289,0.02441005,0.01650988,0.02274213],"domain_scores_gemma":[0.9347026,0.0103487,0.0162673,0.01876263,0.007633091,0.01228569],"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":[0.005364899,0.0113394,0.005054342,0.006233838,0.007140927,0.002757053,0.009283633,0.001977165,0.8985617,0.0001732263,0.01334723,0.03876665],"study_design_scores_gemma":[0.02700418,0.001619419,0.006676157,0.006017778,0.005372516,0.00392342,0.01241042,0.007309126,0.9004132,0.002212381,0.002467531,0.02457387],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9479609,0.009623527,0.0009852495,0.002991037,0.004990737,0.01445759,0.01078317,0.006587298,0.001620465],"genre_scores_gemma":[0.9355907,0.02127958,0.0003657492,0.004195467,0.008454691,0.007344327,0.01436428,0.008241255,0.0001639344],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02790516,"threshold_uncertainty_score":0.997465,"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."}}