{"doi":"10.1021/jacs.5c18410","title":"Size-Dependent Optical Band Gaps in Metal–Organic Framework Nanoparticles","abstract":"Decades of research into size-dependent semiconductor optical gaps have focused on quantum confinement as the dominant mechanism. Emerging reports indicate that lattice strain─intentional or incidental─can impart optical shifts similar or greater in magnitude. Here, we report evidence of optical absorption and photoluminescence spectra of M(1,2,3-triazolate) 2 (M = Mg, Cr, Mn, Fe, Co, Cu, Zn, or Cd) nanoparticles that blueshift from bulk values with decreasing particle sizes in a manner that defies explanation by conventional quantum confinement. The phenomenon persists for particle sizes as large as 200 nm, whereas quantum confinement generally ceases beyond 20–30 nm diameters and follows a weaker dependence on the particle radius. Computational simulations and crystallographic analysis suggest that this behavior arises from size-dependent changes to metal–linker bonding that manifest in strain values comparable to literature reports of strain-induced optical shifts in other classes of materials. This behavior appears beyond this family of materials in other notable examples of metal–organic frameworks (MOFs), including the well-studied Cu 3 (trimesate) 2 (CuBTC), where smaller sizes correlate with blueshifted optical gaps. Taken together, these results represent one of the few examples of size-dependent strain in crystalline materials and reinforce the emerging view that MOFs become softer materials when isolated as nanoparticles.","journal":"Journal of the American Chemical Society","year":2025,"id":515043,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":7,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9528,"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":1378536,"name":"Ryan Beck","orcid":"0000-0002-2953-970X","position":1,"is_corresponding":false},{"id":1378537,"name":"Erik Svensson Grape","orcid":"0000-0002-8956-5897","position":2,"is_corresponding":false},{"id":1379090,"name":"Golnaz Navidi","orcid":null,"position":3,"is_corresponding":false},{"id":1379091,"name":"Miles Griffith","orcid":null,"position":4,"is_corresponding":false},{"id":1378538,"name":"Checkers R. Marshall","orcid":"0000-0002-5165-2549","position":5,"is_corresponding":false},{"id":675048,"name":"Xiaosong Li","orcid":"0000-0001-7341-6240","position":6,"is_corresponding":false},{"id":675046,"name":"Carl K. Brozek","orcid":"0000-0002-8014-7904","position":7,"is_corresponding":false},{"id":1378535,"name":"Faiqa Khaliq","orcid":"0009-0002-1996-1832","position":0,"is_corresponding":true}],"reference_count":113,"raw_metadata":null,"created_at":"2026-07-19T02:48:34.431522Z","pmid":"41319209","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":[]}