{"doi":"10.1021/jacs.4c17499","title":"Pushing Limits of Ultra-wideline Solid-State NMR Spectroscopy: NMR Signatures of <sup>209</sup>Bi and <sup>127</sup>I in Metal–Organic Frameworks at Ultra-high Magnetic Fields","abstract":"Bismuth- and iodine-containing metal–organic frameworks (MOFs) are crucial in catalysis, gas adsorption, and luminescence, with local environments of Bi and I ions shaping their performance. Using 209 Bi and 127 I solid-state NMR (SSNMR) for characterization is extremely challenging due to the exceedingly large quadrupolar interactions in MOFs. Here, we present ultra-wideline (UW) SSNMR spectra of eight MOFs acquired at ultra-high magnetic fields up to 36 T, with breadths of 8–50 MHz, revealing very large quadrupolar couplings. These spectra uncover key structural details, including dehydration, guest adsorption, phase transitions, and disorder. This study establishes 209 Bi and 127 I UW SSNMR as powerful tools for probing Bi and I ions in weight-dilute systems, offering broad applications in catalysis, solar cells, biochemistry, and beyond.","journal":"Journal of the American Chemical Society","year":2025,"id":517201,"datarank":0.32958368660043297,"base_score":2.1972245773362196,"endowment":2.1972245773362196,"self_citation_contribution":0.32958368660043297,"citation_network_contribution":0.0,"self_endowment_contribution":0.32958368660043297,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":8,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.949,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2025-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":878597,"name":"Yijue Xu","orcid":"0000-0002-9875-5609","position":1,"is_corresponding":false},{"id":1174136,"name":"Amrit Venkatesh","orcid":"0000-0001-5319-9269","position":2,"is_corresponding":false},{"id":240798,"name":"Ivan Hung","orcid":"0000-0001-8916-739X","position":3,"is_corresponding":false},{"id":1383467,"name":"Shu‐Ting Li","orcid":"0000-0001-9904-3024","position":4,"is_corresponding":false},{"id":240800,"name":"Zhehong Gan","orcid":"0000-0002-9855-5113","position":5,"is_corresponding":false},{"id":1095341,"name":"Yining Huang","orcid":"0000-0001-9265-5896","position":6,"is_corresponding":false},{"id":1095339,"name":"Wanli Zhang","orcid":"0000-0003-0519-3684","position":0,"is_corresponding":true}],"reference_count":56,"raw_metadata":{"citation_network_status":"fetched"},"created_at":"2026-07-19T02:48:59.410472Z","pmid":"40105145","pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}