The effect of hydrogen bonding to water on the 31 P NMR chemical shift tensor in the titled compounds has been studied experimentally and simulated theoretically using the DFT-GIAO approach. It has been shown that the effect of hydrogen bonding on the 31 P NMR parameters of trialkylphosphine oxides can be simulated at the GIAO-B3LYP/cc-pVDZ approximation. The influence of molecular conformation on the NMR parameters is small in these compounds. In contrast, the effect of molecular conformation can totally mask the effect of hydrogen bonding in the case of phenylphosphine oxides. The limiting case is a hydrogen bond with water. In these compounds the DFT-GIAO approach can be useful for the analysis of stronger hydrogen bonds only. The GIAO-B3LYP/cc-pVDZ approximation fails to reproduce the 31 P NMR parameters of α-amino phosphonates. Thus, a combination of 31 P NMR and low-cost calculations can be used especially effectively in the study of noncovalent interactions in polycrystalline and noncrystalline materials based on trialkylphosphine oxides. The described research strategy is applicable to the study of the local chemical structures in amorphous materials, at surfaces, and in interfaces.
In this article the regulations and policy about S and Ncontaining compounds in fuels, the general information about methods of desulfurization (DS) and denitrogenation (DN) and ionic liquids (ILs) assisted DS and DN are considered. We presented the most effective and novel methods of sulfur and nitrogen compounds removal using ILs from model and real fuels.
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In this review article, we present the latest research in the field of ionic liquids containing biologically active anions and cations, their potential application in the field of agrochemistry and agriculture. The article describes examples of
the use of ionic liquids as herbicides, fungicides, antimicrobial agents, deterrents and plant growth stimulants. It also indicates the advantages and disadvantages of using of ionic liquids, such as their multitasking, toxicity, thermal stability and
solubility in water in comparison with commercial chemicals. Readers will find in the article the prospects for the use of
ionic liquids in agriculture, as well as the high value of using ILs as multifunctional biologically active substances.
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