5630-81-9Relevant 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.
CONTRIBUTIONS TO THE CHEMISTRY OF ORGANIC SILICON-NITROGEN-COMPOUNDS, I. SYNTHESIS OF N,N-BIS-(TRIMETHYLSILYL)AMINES
Schorr, Manfred,Schmitt, Wilfried
, p. 25 - 36 (2007/10/02)
The preparation of N,N-bis-(trimethylsilyl)amines 1 has been investigated.Three convenient methods are reported: A, Transfer of (catalytically) activated Tms-groups to amines starting from N-silylated carbonamides, B, silylation of amines with trimethylsilylchloride 5/NEt3 in the presence of TiCl4, C, silylation of primary amines 4 or mono-(trimethylsilyl)amines 16 with CF3SO3 Tms/NEt3 or TmsI/NEt3.Methods A and B are limited to the silylation of (ar)alkylamines which have no branched α-position. Key words: N,N-bis-(trimethylsilyl)amines; N,N-bis-silylamines; N-silylcarbonamides.
