Comparisons of lanthanide/actinide +2 ions in a tris(aryloxide)arene coordination environment† †Electronic supplementary information (ESI) available: Additional computational details, spectroscopic information, crystallographic data collection, structure solution, and refinement (PDF), X-ray diffraction details of compounds 1-Ln (Ln = Nd, Gd, Dy, and Er), 2-Nd, 2-Ln/3-Ln (Ln = Gd, Dy, Er), 2-Dy/4-Dy, and 5-Dy/6-Dy. CCDC (CIF, 1538987–1538995 and 1566075 for 2-Dy/3-Dy), and DFT-optimized structural coordinates for 2-Nd and 2-Gd. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc02337e Click here for additional data file. Click here for additional data file. Click here for additional data file.

Antimony-ligated dysprosium single-molecule magnets as catalysts for stibine dehydrocoupling† †Electronic supplementary information (ESI) available: Synthetic details, spectroscopic characterization for all compounds, X-ray crystallography details and crystallographic information files, computational details. CCDC 1484570–1484573 and 1485316. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc04465d Click here for additional data file. Click here for additional data file.

Single-molecule magnets (SMMs) are coordination compounds that exhibit magnetic bistability below a characteristic blocking temperature. Research in this field continues to evolve from its fundamental foundations towards applications of SMMs in information storage and spintronic devices. Synthetic chemistry plays a crucial role in targeting the properties that could ultimately produce SMMs with...

High symmetry or low symmetry, that is the question – high performance Dy(iii) single-ion magnets by electrostatic potential design† †Electronic supplementary information (ESI) available: Additional magnetic data, additional figures and computational details. CCDC 929546, 974436–974438 for 1–4. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02986d Click here for additional data file. Click here for additional data file.

FW (g mol-1) 1180.4

(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles† †Electronic supplementary information (ESI) available: Characterization data, crystallographic data and Cartesian coordinates of DFT optimized structures. CCDC 1432815(4), 1432814 (5), 1528506 (6), 1432817 (8), 1528508 (10) and 1528507 (10′). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00300e Click here for additional data file. Click here for additional data file.

1. General Information ............................................................................................................................. 1 2. Synthesis and Characterization data ................................................................................................... 2 3. X-ray data ..............................................................................................

Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles† †Electronic supplementary information (ESI) available: Synthetic details, NMR spectroscopic data, calculation data for modeling, and X-ray crystal data for 1·(ethyl acetate)3, 1·CHCl3·(EtOH)2, 1·TEAF·(CH2Cl2)3, 1·CsF·(CHCl3)2·(CH3OH)2, 1 2·(CsCl)3·(C2H5OH)2·CHCl3, 2·(CH3CN)3, 2 2·(TEAF)2·(CH2Cl2)3·(H2O)3, 2·CsF·CH3OH·CHCl3, and 2·CsCl·CH3OH·CHCl3. CCDC 1025273–1025281. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03272a Click here for additional data file. Click here for additional data file.

Department of Chemistry, The University of A5300, Austin, Texas 78712-1224, USA Supramolecular Design Institute, Oak Ridg Department of Chemistry, Korea University † Electronic supplementary information spectroscopic data, calculation data for 1$(ethyl acetate)3, 1$CHCl3$(EtOH)2, 1$TEA 12$(CsCl)3$(C2H5OH)2$CHCl3, 2$(CH3 2$CsF$CH3OH$CHCl3, and 2$CsCl$CH3OH ESI and crystallographic data in CIF 10...

A well-defined NHC–Ir(iii) catalyst for the silylation of aromatic C–H bonds: substrate survey and mechanistic insights† †Electronic supplementary information (ESI) available: Spectroscopic and analytical data. DFT optimized structures and computational details. X-ray crystallographic data for 1, 2 and 3 (CCDC 1507888, 1507890 and 1507889, respectively). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc04899d Click here for additional data file. Click here for additional data file.