Stereochemical and Computational NMR Survey of 1,2,3-Triazoles: in Search of the Original Tauto-Conformers.

The conformational analysis of nine functionalized 1,2,3-triazoles was carried out by the correlation of calculated and experimental high-level nuclear magnetic resonance (NMR) chemical shifts. In solution, the studied triazoles are in exchange dynamic equilibrium caused by their prototropic tautomerism of the NH-proton. The experimentally unresolved NMR signals were assigned for most of the compounds.

Data on a two-dimensional Pd-cellulose with optimized morphology for the effective solar to steam generation.

The data presented in this article are related to the research article entitled "Two-dimensional Pd-cellulose with optimized morphology for the effective solar to steam generation (Omelianovych et al., Desalination, 535, 115820 (2023)). We provide complementary analysis of the plasma synthesis parameters, such as plasma power optimization, which were omitted in the original research.

- and -Phosphorylated Enamines-An Avenue to Heterocycles: NMR Spectroscopy.

The review presents extensive data (from the works of the author and literature) on the structure of - and -chlorophosphorylated enamines and the related heterocycles obtained by multipulse multinuclear H, C, and P NMR spectroscopy. The use of phosphorus pentachloride as a phosphorylating agent for functional enamines enables the synthesis of various - and -phosphorylated products that are heterocyclized to form various promising nitrogen- and phosphorus-containing heterocyclic systems. P NMR spectroscopy is the most convenient, reliable and unambiguous method for the study and identification of organophosphorus compounds with different coordination numbers of the phosphorus atom, as well as for the determination of their - and -isomeric forms.

Organophosphorus Azoles Incorporating a Tetra-, Penta-, and Hexacoordinated Phosphorus Atom: NMR Spectroscopy and Quantum Chemistry.

The review presents extensive data (from the author's work and the literature) on the stereochemical structure of functionalized organophosphorus azoles (pyrroles, pyrazoles, imidazoles and benzazoles) and related compounds, using multinuclear H, C, P NMR spectroscopy and quantum chemistry. P NMR spectroscopy, combined with high-level quantum-chemical calculations, is the most convenient and reliable approach to studying tetra-, penta-, and hexacoordinated phosphorus atoms of phosphorylated -vinylazoles and evaluating their Z/E isomerization.

Acrylamide derivatives: A dynamic nuclear magnetic resonance study.

Substituted acrylamides have found an extensive application in organic and medical chemistry; therefore, it is very important to get insight into their features such as electronic structure, spectral properties, and stereochemical transformations. A correct interpretation of the chemical behavior and biological activity of these heteroatomic systems is impossible without knowledge of the structure of stereodynamic forms and factors determining their relative stability. The structure and peculiarities of stereodynamic behavior of substituted acrylamides and their model compounds were studied by dynamic and multinuclear H, C, and N nuclear magnetic resonance (NMR) spectroscopy in CDCl and DMSO-d solution.