2345-72-4Relevant 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.
Clean nitrations: Novel syntheses of nitramines and nitrate esters by nitrodesilylation reactions using dinitrogen pentoxide (N2O5)
Millar, Ross W.,Philbin, Simon P.
, p. 4371 - 4386 (2007/10/03)
In this novel nitration method dinitrogen pentoxide (N2O5) in an inert solvent is used as the nitrating agent, thereby removing the need for strong acids as the reaction medium. The N2O5 cleaves heteroatom-silicon bonds, in silylamines and silyl ethers respectively, to yield the desired energetic groupings (nitramines or nitrate esters respectively) without liberation of acids which would occur with conventional substrates (amines or alcohols). These nitrodesilylation reactions proceed cleanly and in good yield, and the scope of the reaction is illustrated by 29 examples, some of which produce high energy compounds, notably plasticisers and an energetic polymer precursor. These reactions are therefore potentially clean nitrations for the manufacture of energetic compounds which will minimise the impact of this activity on the environment in the future.
Perfluoroglutaryl chloride - a useful precursor to heterocycles
Mohammadi,Shreeve, Jean'ne M.
, p. 451 - 459 (2007/10/02)
Perfluoroglutaryl chloride formed heterocyclic compounds with 2,3-dihydroxynaphthalene and with o-phenylenediamine. However, only a disubstituted acyclic compound resulted with bis(trimethylsilyl)piperazine.
