{"id":"W4406118170","doi":"10.1021/jacs.4c12650","title":"Leveraging Intramolecular π-Stacking to Access an Exceptionally Long-Lived <sup>3</sup>MC Excited State in an Fe(II) Carbene Complex","year":2025,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Radical Photochemical Reactions","field":"Chemistry","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"Chemical Sciences, Geosciences, and Biosciences Division; Basic Energy Sciences; Natural Sciences and Engineering Research Council of Canada; Office of Science; University of Alberta; Compute Canada; Research Manitoba; U.S. Department of Energy","keywords":"Chemistry; Carbene; Intramolecular force; Excited state; Stacking; Photochemistry; Crystallography; Atomic physics; Stereochemistry; Catalysis; Physics; 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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003371246,0.0003223242,0.0006422907,0.0000773994,0.0002017864,0.0001750634,0.00165483,0.0001227937,0.000177207],"category_scores_gemma":[0.0004241529,0.0002685545,0.000542921,0.00111011,0.0004651296,0.0003542316,0.0005293759,0.001384175,0.000001482271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001091529,"about_ca_system_score_gemma":0.0002766737,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000358229,"about_ca_topic_score_gemma":0.000009241859,"domain_scores_codex":[0.9972798,0.00009585689,0.0008750351,0.0004461181,0.0007355093,0.000567664],"domain_scores_gemma":[0.9978466,0.0002583292,0.0005637092,0.0005690262,0.0003026112,0.0004597491],"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":[0.0001550591,0.0004165302,0.007139188,0.00003644032,0.0001610476,0.00001258066,0.001130595,0.007519573,0.9789724,0.000003456081,0.00182661,0.002626525],"study_design_scores_gemma":[0.002736561,0.0001654627,0.04228174,0.0007175514,0.000237043,0.00009715348,0.002891765,0.04154705,0.9019241,0.003686647,0.002656545,0.001058369],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9949138,0.00002733804,0.002449807,0.002107362,0.00005357795,0.0001353727,0.00001795782,0.00004589481,0.0002489213],"genre_scores_gemma":[0.9930286,0.00001972028,0.002662033,0.003893105,0.0002284436,0.00001514399,0.0000210268,0.00004098185,0.00009088974],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07704829,"threshold_uncertainty_score":0.9999767,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02801344906803346,"score_gpt":0.3248691023460549,"score_spread":0.2968556532780214,"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."}}