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1.
Inorg Chem ; 62(44): 18108-18115, 2023 Nov 06.
Artículo en Inglés | MEDLINE | ID: mdl-37876243

RESUMEN

The reaction between silylamido complexes of Cr(II), Fe(II), and Co(II) and IMes·2HF salt in the presence of IMes (IMes = 1,3-dimesitylimidazol-2-ylidene) led to isolation of Cr(IMes)2F2 (2-Cr), Fe(IMes)2F2 (2-Fe), and Co(IMes)2F2 (2-Co). X-ray structural studies revealed that 2-Cr adopts square planar geometry, while 2-Fe and 2-Co have distorted tetrahedral geometry. Magnetic susceptibility studies of 2-Cr, 2-Fe, and 2-Co were consistent with high-spin complexes, S = 2 for 2-Cr/2-Fe and S = 3/2 for 2-Co. We demonstrated that fluoride can be successfully exchanged for cyanide and azide using trimethylsilyl cyanide and trimethylsilyl azide (3-Fe and 4-Fe). DFT studies suggest that the preference of 2-Cr to adopt square planar geometry over tetrahedral is due to its d4 metal center, where four electrons fill the lower-lying d-orbitals.

2.
Crystals (Basel) ; 12(5)2022 May.
Artículo en Inglés | MEDLINE | ID: mdl-35968538

RESUMEN

A new polymorph of the mycotoxin alternariol is reported and characterized by single crystal X-ray diffraction. Structural data, Hirshfeld surface analysis, and 2D fingerprint plots are used to compare differences in the intermolecular interactions of the orthorhombic Pca21 Form I (previously reported) and the monoclinic P21/c Form II (herein reported). The polymorphs have small differences in planarity-7.55° and 2.19° between the terminal rings for Form I and Form II, respectively-that brings about significant differences in the crystal packing and O-H … H interactions.

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