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Effect of a halogen bond on the crystal structure of terphenyldicarboxylic acid derivatives.
Acta Crystallogr B Struct Sci Cryst Eng Mater
April 2024
Department of Materials Science and Physical Chemistry of Materials, South Ural State University, 76, Lenin prospekt, Chelyabinsk, Chelyabinsk Oblast 454080, Russian Federation.
The syntheses and structures of dimethyl [1,2:2,3-terphenyl]-1,3-dicarboxylate (1), dimethyl 2,2-diiodo[1,2:2,3-terphenyl]-1,3-dicarboxylate (2), potassium [1,2:2,3-terphenyl]-1,3-dicarboxylate (3) and dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate (4) are reported. Neighboring phenyl rings in compounds 1, 3 and 4 have a planar structure (torsion angles are 0.6-4.
View Article and Find Full Text PDFTriiodide-Based Chair-Like Copper Complex Assembled by Halogen Bonding.
Inorg Chem
January 2024
Saint Petersburg State University, Universitetskaya Nab. 7/9, Saint Petersburg 199034, Russian Federation.
Cocrystallization of the dimeric [Cu(μ-I)(CNXyl)] (Xyl = 2,6-MeCH, ) and polymeric -[Cu(μ-I)(CNCH-2-Cl-6-Me)] () complexes with I at different molar ratios between the reactants resulted in a series of (RNC)CuI-based crystal polyiodides formed along with gradual accumulation of iodine, namely the cocrystals [·I]·[Cu(μ-I)(CNXyl)] followed by the generation of [Cu(μ-I)(CNXyl)]·2I (·2I) or [Cu(μ-I)(CNCH-2-Cl-6-Me)] and then [Cu(μ-I)(CNCH-2-Cl-6-Me)]·/I. The polyiodide ·2I exhibits a novel supramolecular motif─a purely inorganic halogen-bonded Cu(μ-I) core in the chair conformation. The X-ray structure of ·2I featuring I···I contacts was analyzed by a set of theoretical methods and attributed to moderately strong halogen bonding (from -3.
View Article and Find Full Text PDFGrowing crystals and studying structure and electronic properties of CuZnGe(SSe) compositions.
Heliyon
November 2023
Laboratory of Magnetic Films Physics, SSPA "Scientific and Practical Materials Research Centre of NAS of Belarus", 220072, Minsk, P. Brovka str., 19, Belarus.
Single crystals of CuZnGeSe and CuZnGeS solid solutions were developed and successfully obtained using the chemical vapor transfer method, with iodine acting as a transporter. The structure, compositional dependences of lattice parameters, pycnometric and X-ray densities and microhardness were determined. The chemical composition determined by the X-ray microanalysis satisfactorily corresponds to the nominal one with a tolerance of ±5 %.
View Article and Find Full Text PDFHalogen Bonding Involving Isomeric Isocyanide/Nitrile Groups.
Int J Mol Sci
August 2023
Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7/9, 199034 Saint Petersburg, Russia.
2,3,5,6-Tetramethyl-1,4-diisocyanobenzene (), 1,4-diisocyanobenzene (), and 1,4-dicyanobenzene () were co-crystallized with 1,3,5-triiodotrifluorobenzene (1,3,5-FIB) to give three cocrystals, ·1,3,5-FIB, ·2(1,3,5-FIB), and ·2(1,3,5-FIB), which were studied by X-ray diffraction. A common feature of the three structures is the presence of I···C or I···N halogen bonds (HaBs), which occurs between an iodine σ-hole and the isocyanide C-(or the nitrile N-) atom. The diisocyanide and dinitrile cocrystals ·2(1,3,5-FIB) and ·2(1,3,5-FIB) are isostructural, thus providing a basis for accurate comparison of the two types of noncovalent linkages of C≡N/N≡C groups in the composition of structurally similar entities and in one crystal environment.
View Article and Find Full Text PDFIodine Solution Treatment in Nonpolar Solvents as a Facile Approach to Improve the Morphology and Photostability of Perovskite Films.
J Phys Chem Lett
March 2022
Laboratory of New Materials for Solar Energetics, Department of Materials Science, Lomonosov Moscow State University, 1 Lenin Hills, 119991, Moscow, Russia.
We propose a new, simple, and easily implemented approach to improve the morphology of thin films of lead halide perovskites. A key feature of the approach is the controllable size increase of perovskite grains facilitated by polyiodides formed on the surface of the perovskite upon its treatment with iodine solutions in nonpolar solvents with the best results obtained for iodine solution in toluene saturated with MAI. Such a treatment demonstrated an increase in the average grain size of the films of up to 3.
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