A5027604015- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Crystallography and molecular interactions
- Chemical Thermodynamics and Molecular Structure
- Molecular Sensors and Ion Detection
- Metal complexes synthesis and properties
- Organic and Molecular Conductors Research
- Asymmetric Synthesis and Catalysis
- Organometallic Compounds Synthesis and Characterization
- Inorganic Fluorides and Related Compounds
- Machine Learning in Materials Science
- Solid-state spectroscopy and crystallography
- Metal-Organic Frameworks: Synthesis and Applications
- Vanadium and Halogenation Chemistry
- Crystal structures of chemical compounds
St Petersburg University
2020-2023
National Research Tomsk State University
2022-2023
Tomsk Polytechnic University
2022-2023
Three diaryliodonium tetrachloroaurates(III), [Ar1IAr2][AuCl4] (Ar1/Ar2 = Ph/Ph (1), Ph/Mes (2), o-(C6H4)2 (3)), were obtained as solids (62–80%) by the metathetical reaction of [Ar1IAr2](CF3CO2) and H[AuCl4]. In particular, single-crystal X-ray diffraction studies 1–3 revealed three-center bifurcated C–I···(Cl–Au–Cl) halogen bond (XB) more conventional interionic two-center C–I···Cl–Au XB. An XB with iodine(III) center a cation can be formed even when ∠(C–I···X) is much less than 180°...
A single-crystal X-ray diffraction (XRD) study of diaryliodonium tetrachloroaurates (or, in the recent terminology, tetrachloridoaurates), [(p-XC6H4)2I][AuCl4] (X = Cl, 1; Br, 2), was performed for 1 (the structure is denoted as 1a to show similarity with isomorphic 2a) and two polymorphs─2a (obtained from MeOH) 2b (from 1,2-C2H4Cl2). Examination XRD data these three structures revealed 2-center C-X···AuIII Cl Br) 3-center bifurcated C-Br···(Cl-Au) halogen bonding (abbreviated XB) between...
A suitable model for computational study giving reliable estimation of the catalytic effect σ-hole donating organocatalysts is suggested.
The simultaneous binding of a molecular entity through two interactions is frequently pursued recognition mode due to the advantages it offers in securing self-assembly. Here, we report how planarity benzothienoiodolium (BTI) cation allows for preorganizing plane hydrogen, halogen, and chalcogen bonds (HBs, XBs, ChBs, respectively) formed by phenyl iodolium iodine, thienyl sulfur. Crystallographic analyses some BTI salts show this interaction coplanarity enables their coupling point toward...
Three isomorphic cocrystals were obtained via the crystallization of [PPN][AuCl2] (1) from CHBr3 (1·CHBr3), or CHCl3/1,2-C2F4Br2 (1·CHCl3) and CH2Cl2/Et2O (1·CH2Cl2) mixtures. Analysis single-crystal X-ray diffraction data for these revealed a gold(I)-involving two-center C-X···Au halogen bond (abbreviated as XB; X = Cl, Br) three-center bifurcated C-Br···(Cl-Au) in latter, gold(I)-chloride linkage functions an integrated XB acceptor. The noncovalent nature energies [spanning -1.58 to -5.52...
The cocrystallization of trans-[PtI2(NCN(CH2)5)2] and iodoform (CHI3) yields crystalline adduct trans-[PtI2(NCN(CH2)5)2]∙2CHI3, the structure which was studied via single-crystal X-ray diffractometry (XRD). In XRD apart from rather predictable C–H∙∙∙I hydrogen bonds (HBs) C−I∙∙∙I halogen (XBs) with iodide ligands, we identified C–I∙∙∙Pt metal-involving XBs, where platinum center functions as an XB acceptor (that includes a metal dz2-orbital) toward σ-holes I atoms CHI3. DFT calculations...
The simultaneous binding of a molecular entity through two interactions is frequently pursued recognition mode due to the advantages it offers in securing self-assembly. Here we report how planarity benzothienoiodolium (BTI) cation allows for preorganizing plane hydrogen, halogen, and chalcogen bonds (HB, XB, ChBs, respectively) formed by phenyl iodolium iodine, thienyl sulfur. Crystallographic analyses some BTI salts show this coplanarity enables their coupling point towards single anion...