@article{857acf3253624c3fb6324c5768385d67,
title = "Thorium Cubanes-Synthesis, Solid-State and Solution Structures, Thermolysis, and Chalcogen Exchange Reactions",
abstract = "Thorium cubanes (py)8Th4(μ3-E′)4(μ2-EPh)4(ν-EPh)4 (E, E′ = S, Se) were prepared from ligand-based redox reactions of elemental E′ with Th(EPh)4. Products with all four possible E/E′ combinations (E,E′ = S,S; Se,Se; S,Se; Se,S) were isolated and structurally characterized, ligand exchange reactions were explored, and the heterochalcogen compounds (py)8Th4(μ3-S)4(μ2-SePh)4(ν-SePh)4 and (py)8Th4(μ3-Se)4(μ2-SPh)4(ν-SPh)4 were heated to deliver solid solutions of ThSxSe2-x. NMR spectroscopy indicated that the structure of (py)8Th4(μ3-Se)4(μ2-SePh)4(ν-SePh)4 is static in pyridine solution, with no exchange between bridging and terminal PhE- ligands on the NMR time scale. A computational analysis of 77Se NMR shifts provides insight into the solution structure of both clusters and monomeric chalcogenolates.",
author = "Marissa Ringgold and David Rehe and Peter Hrob{\'a}rik and Kornienko, {Anna Y.} and Emge, {Thomas J.} and Brennan, {John G.}",
note = "Funding Information: This material is based upon work supported by the National Science Foundation under CHE-1464887. The computational work has been supported by the Berlin DFG excellence cluster on Unifying Concepts in Catalysis (UniCat) and by the Slovak Scientific Grant Agency VEGA (Project Nos. 1/0507/17 and 1/0712/18). Funding Information: This material is based upon work supported by the National Science Foundation under CHE-1464887. The computational work has been supported by the Berlin DFG excellence cluster on Unifying Concepts in Catalysis (UniCat) and by the Slovak Scientific Grant Agency VEGA (Project Nos. 1/0507/17 and 1/0712/18). P.H. also acknowledges funding from the European Union{\textquoteright}s Horizon 2020 research and innovation programme under the Marie Sk{\l}odowska-Curie Grant No. 752285. We thank Prof. K.-B. Lee and S.-t. Chueng (Rutgers Univ.) for providing help with SEM measurements.",
year = "2018",
month = jun,
day = "18",
doi = "10.1021/acs.inorgchem.8b00836",
language = "English (US)",
volume = "57",
pages = "7129--7141",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "12",
}