0000000000113641
AUTHOR
Diana Over
Cu Polyimidazole Thioether Complexes : Comparison of RDF's Reconstructed from XAFS and XRD Data
Radial distribution functions (RDF) reconstructed from XAFS data (Cu K-edge at low and room temperatures) are compared with RDF's constructed from XRD crystallographic data of Cu polyimidazole thioether complexes. New EDA software package possibilities are used to reconstruct RDFs: (i) model independent RDF reconstruction, and (ii) multi shell - cumulant fitting. RDF's obtained from XRD data are broadened with Debye Waller factors calculated from XAFS. This way the structural disorder (set of distances) and thermal (vibrational) disorder are quantitatively taken into account in each RDF reconstruction approach. Within experimental error the three sets of RDF'S agree well with each other for…
“Two-Story” Calix[6]arene-Based Zinc and Copper Complexes: Structure, Properties, and O 2 Binding
International audience; A new “two-story” calix[6]arene-based ligand was synthesized, and its coordination chemistry was explored. It presents a tren cap connected to the calixarene small rim through three amido spacers. X-ray diffraction studies of its metal complexes revealed a six-coordinate ZnII complex with all of the carbonyl groups of the amido arms bound and a five-coordinate CuII complex with only one amido arm bound. These dicationic complexes were poorly responsive toward exogenous neutral donors, but the amido arms were readily displaced by small anions or deprotonated with a base to give the corresponding monocationic complexes. Cyclic voltammetry in various solvents showed a r…
CCDC 1541407: Experimental Crystal Structure Determination
Related Article: Gaël De Leener, Diana Over, Coryse Smet, Damien Cornut, Ana Gabriela Porras-Gutierrez, Isidoro López, Bénédicte Douziech, Nicolas Le Poul, Filip Topić, Kari Rissanen, Yves Le Mest, Ivan Jabin, and Olivia Reinaud|2017|Inorg.Chem.|56|10971|doi:10.1021/acs.inorgchem.7b01225
CCDC 1541408: Experimental Crystal Structure Determination
Related Article: Gaël De Leener, Diana Over, Coryse Smet, Damien Cornut, Ana Gabriela Porras-Gutierrez, Isidoro López, Bénédicte Douziech, Nicolas Le Poul, Filip Topić, Kari Rissanen, Yves Le Mest, Ivan Jabin, and Olivia Reinaud|2017|Inorg.Chem.|56|10971|doi:10.1021/acs.inorgchem.7b01225