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Stereoisomerism of bis(σ-Zincane) Complexes: Evidence for an Intramolecular Pathway

Autor: Mark R. Crimmin, Olga Ekkert, Andrew J. P. White

Publikováno v: Chemistry-A European Journal

The first bis(σ-zincane) complexes, heterotri- metallic species [M(CO)4 (η2 -HZnBDI)2 ], have been prepared (BDI=κ2 -{2,6-(iPr)2 C6 H3 NCMe}2 CH). For M=Cr, a single stereoisomer is observed in solution and the solid-state. For M=Mo and W, cis and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24c03e2d57a1bad13a845abdc21fa6cd
https://doi.org/10.1002/chem.201701207

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Tiara-like Complexes acting as Iodine Encapsulating Agents: The Role of M⋯I Interactions in [M(μ-SCH2CO2Me)2]8⊂I2 (M = Ni, Pd, Pt) Inclusion Compounds

Autor: Miguel-Armando Ponce-Vargas, Alvaro Muñoz-Castro

Publikováno v: Journal of Physical Chemistry C
Journal of Physical Chemistry C, 2016, 120 (41), pp.23441--23448. ⟨10.1021/acs.jpcc.6b08643⟩
Journal of Physical Chemistry C, American Chemical Society, 2016, 120 (41), pp.23441--23448. ⟨10.1021/acs.jpcc.6b08643⟩

International audience; A proposed series of tiara-like complexes [M(μ-SCH2CO2Me)2]8 (where M = Ni, Pd, Pt) are here studied through DFT methodologies prompted by the synthesis of the palladium parent and their potential application in iodine encaps

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f836ac3a392f443bfe5e3e8fc1efd266
https://univ-rennes.hal.science/hal-01398050/document

DFT normal coordinate analysis of the vibrational spectra of iron and germanium corroles

Autor: Cees Veeger, Olga Zakharieva

Publikováno v: Journal of Molecular Structure : THEOCHEM 723 (2005) 1-3
Journal of Molecular Structure : THEOCHEM, 723(1-3), 171-182

DFT calculations on the vibrational modes of [FeCl(OECorr)], [FeCl(TPCorr)], [FeC6H5(OECorr)] and the corresponding germanium systems, [GeCl(OECorr)], [GeCl(TPCorr)] and [GeC6H5(OECorr)] are for the first time presented. In addition DFT calculations

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75fa5f8970ead61884295a12e2b1c5b7
https://research.wur.nl/en/publications/dft-normal-coordinate-analysis-of-the-vibrational-spectra-of-iron