17165-52-5Relevant articles and documents
CO2 Capture with Silylated Ethanolamines and Piperazines
Herbig, Marcus,Gevorgyan, Lia,Pflug, Moritz,Wagler, J?rg,Schwarzer, Sandra,Kroke, Edwin
, p. 894 - 902 (2020)
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.
The Chemistry of the 1-Aza-2-bora-3-oxacyclopentane System
Koehn, Heinz-Gerhard,Meller, Anton
, p. 447 - 453 (2007/10/02)
Derivatives of 1-aza-2-bora-3-oxacyclopentane are easily prepared by cleavage of the N-Si and O-Si bonds in disilylated ethanolamines with halogenoboranes.The B-halogeno and B-hydro compounds with NH and N-CH3 moieties are associated in the solid state, and in part also in the liquid and gas phase.In the solid phase hexahydroborazine derivatives are formed by association.Further compounds include B-N-Si-substituted rings and interlinked bicyclic systems. - Keywords: 1-Aza-2-bora-oxacyclopentanes, Dimers and Trimers, B-Silylamino Derivatives, Bis(trimethylsilyl)ethanolamines
