The crystal structures of two coordination compounds, (acetato-κO)(2,2'-bipyridine-κN,N')(1,10-phenanthroline-κN,N')copper(II) acetate hexahydrate, [Cu(CHO)(CHN)(CHN)](CHO)·6HO or [Cu(bipy)(phen)Ac]Ac·6HO, and (acetato-κO)bis(2,2'-bipyridine-κN,N')copper(II) acetate-acetic acid-water (1/1/3), [Cu(CHO)(CHN)](CHO)·CHO·3HO or [Cu(bipy)Ac]Ac·HAc·3HO, are reported and compared with the previously published structure of [Cu(phen)Ac]Ac·7HO (phen is 1,10-phenanthroline, bipy for 2,2'-bipyridine, ac is acetate and Hac is acetic acid). The geometry around the metal centre is pentacoordinated, but highly distorted in all three cases. The coordination number and the geometric distortion are both discussed in detail, and all complexes belong to the space group P-1. The analysis of the geometric parameters and the Hirshfeld surface properties d and curvedness provide information about the metal-ligand interactions in these complexes and allow comparison with similar systems.
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http://dx.doi.org/10.1107/S2053229624007617 | DOI Listing |
Inorg Chem
December 2024
Department of Chemistry, The Johns Hopkins University, 3400 North Charles Street, Baltimore, Maryland 21218, United States.
The nonheme iron(II) complexes containing a fluoride anion, Fe(BNPAO)(F) () and [Fe(BNPAOH)(F)(THF)](BF) (), were synthesized and structurally characterized. Addition of dioxygen to either or led to the formation of a fluoride-bridged, dinuclear iron(III) complex [Fe(BNPAO)(F)(μ-F)] (), which was characterized by single-crystal X-ray diffraction, H NMR, and elemental analysis. An iron(II)(iodide) complex, Fe(BNPAO)(I) (), was prepared and reacted with O to give the mononuclear complex -Fe(BNPAO)(OH)(I) ().
View Article and Find Full Text PDFInorg Chem
December 2024
Institute of Nano Science and Technology, Sector-81, Mohali, Punjab 140306, India.
Among lanthanide-based single-molecule magnets (SMMs), erbium(III) is a Kramers ion, apart from dysprosium(III), which provides magnetic bistability in the presence of a suitable coordination environment. However, Er-based SMMs exhibit significantly less magnetic anisotropy than Dy because their prolate electronic density necessitates equatorially correlated ligands to minimize the charge contact with the Er atom. Here, in this work, we have computationally investigated the heteroleptic organometallic complexes with an Er(III) atom sandwiched between two distinct cyclic rings (five- and eight-membered) with the aim of tuning the magnetic anisotropy via exploiting the ligand field.
View Article and Find Full Text PDFJ Mol Model
December 2024
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Avenida Ferrocarril San Rafael Atlixco, Número 186, Colonia Leyes de Reforma 1A Sección, Alcaldía Iztapalapa, Código Postal 09310, Ciudad de Mexico, Mexico.
Context: Antioxidants are known to play a beneficial role in human health. Caffeic acid has been previously recognized as efficient in this context. However, such a capability can be enhanced through structural modification.
View Article and Find Full Text PDFACS Nano
December 2024
Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 1H9, Canada.
Nanometer-thick ultrathin coatings with superior mechanical strength and desirable lubricating and antifouling performance are critical for the miniaturization of implantable medical devices. However, integrating these properties at the nanoscale remains challenging due to the inherent trade-off between mechanical strength and hydration as well as limitations in coating thickness. In this work, we address these challenges by employing dual-function metal coordination to construct a ∼25 nm thick bilayer structure.
View Article and Find Full Text PDFChemistry
December 2024
CNRS, Centre de Biophysique Moléculaire, Rue Charles Sadron, 45071, Orléans, FRANCE.
Zinc is an important physiological cation, and its misregulation is implicated in various diseases. It is therefore important to be able to image zinc by non-invasive methods such as Magnetic Resonance Imaging (MRI). In this work, we have successfully synthesized a novel Gd3+-based complex specifically for Zn2+ sensing by MRI.
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