2026-10-12T22:49:31Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33888028 2026-09-17T11:38:38Z portal_1197 item_type_3 month_year_09_2026

Data for Photoinitiated single-crystal to single-crystal redox transformations of titanium-oxo clusters Stephen E. Brown (25016680) Mark R. Warren (25016683) Dominik J. Kubicki (25016686) Ann Fitzpatrick (2814883) Sebastian D. Pike (25016689) Metal clusters Titanium Crystallography -- Methodology Chemistry, Inorganic Crystals -- Structure Photocatalysis Irradiation Migrated from ePrints Titanium-oxo clusters can undergo photochemical reactions under UV light, resulting in the reduction of the titanium-oxo core and oxidation of surface ligands. This is an important step in photocatalytic processes in light-absorbing Ti/O-based clusters, metal–organic frameworks, and (nano)material surfaces; however, studying the direct outcome of this photochemical process is challenging due to the fragility of the immediate photoproducts. In this report, titanium-oxo clusters [TiO(OiPr)(L)]n (n = 4, L = O2PPh2, or n = 6, L = O2CCH2tBu) undergo a two-electron photoredox reaction in the single-crystal state via an irreversible single-crystal to single-crystal (SC-SC) transformation initiated by a UV laser. The process is monitored by single crystal X-ray diffraction revealing the photoreduction of the cluster with coproduction of an (oxidized) acetone ligand, which is retained in the structure as a ligand to Ti(3+). The results demonstrate that photochemistry of inorganic molecules can be studied in the single crystal phase, allowing characterization of photoproducts which are unstable in the solution phase. 2024-06-12T00:00:00Z Dataset Dataset 10.82444/warw.33888028.v1 https://figshare.com/articles/dataset/Data_for_Photoinitiated_single-crystal_to_single-crystal_redox_transformations_of_titanium-oxo_clusters/33888028 CC BY 4.0