20836-40-2Relevant academic research and scientific papers
CO2 Capture with Silylated Ethanolamines and Piperazines
Herbig, Marcus,Gevorgyan, Lia,Pflug, Moritz,Wagler, J?rg,Schwarzer, Sandra,Kroke, Edwin
, p. 894 - 902 (2019/12/24)
Amine treatment is commonly used to capture CO2 from exhaust gases and from ambient air. The Si?N bond in aminosilanes is capable of reacting with CO2 more readily than amines. In the current study we have synthesized trimethylsilylated ethanolamines, diethanolamines and piperazines and investigated their reaction toward CO2. All products were characterized by 1H, 13C, and 29Si NMR, RAMAN spectroscopy as well as mass spectrometry. The product of a twofold CO2-insertion into bis-trimethylsilylated piperazine was analysed by single-crystal X-ray diffraction. Furthermore, quantum chemical calculations (DFT) were used to supplement the experimental results. Geometry optimizations and NBO calculations for each starting material were carried out at the B3LYP level with different basis sets. DFT calculations at the B3LYP, WB97XD and M062x level were conducted for geometry optimization and frequency calculations to examine the thermochemical data. The calculations were carried out both for the gas phase and in solvent environment. The calculated reaction enthalpies varied between ?37 and ?107 kJ mol?1, while experimental values around ?100 kJ mol?1 were determined.
Synthesis of new dibenzo[c.e][1,2]oxaphosphorine 2-oxide containing diols based on diethanolamine
Bykov, Yana,Wagner, Sebastian,Walter, Olaf,Doering, Manfred,Fischer, Oliver,Pospiech, Doris,Koeppl, Thomas,Altstaedt, Volker
scheme or table, p. 146 - 153 (2012/07/01)
Different approaches were applied to obtain new diol compounds based on dibenzo[c.e][1,2]oxaphosphorine 2-oxide (DOPO, 1) and diethanolamine (DEolA). Of four processes investigated, a four-step synthesis of 1 containing propionic acid amide of DEolA proved to be the most efficient one. In addition, the intramolecular amine salt of the DOPO derivative with a ring-opened structure was obtained by reinvestigation of the reaction of DOPO with DEolA and paraformaldehyde. The Atherton-Todd reaction of 1 and DEolA was investigated as well.
Fluorophosphoranes as Lewis acids. The conditions of access to hexacoordinated neutral adducts via the intramolecular addition of an electrondonor
Robert, Dominique,Gawad, Hoda Abdel,Riess, Jean G.
, p. 511 - 516 (2007/10/02)
The possibility of obtaining bicyclic neutral hexacoordinated fluorophosphorus adduct of type 2 was investigated for R=F, Me, Ph and X=O, S, NH, NMe, NtBu NPh.Adduct 2g was formed predominantly only in the case where R=F and X=S.In all the othe
