DFT study of response mechanism and selectivity of poly(3,4-ethylenedioxythiophene) towards CO2 and SO2 as gas sensor
Sign Up to like & getrecommendations! Published in 2019 at "Structural Chemistry"
DOI: 10.1007/s11224-018-1272-4
Abstract: To evaluate the sensing ability of poly(3,4-ethylenedioxythiophene) (PEDOT) towards CO2 and SO2 gaseous molecules, an extensive quantum mechanical study has been carried out by using two different level of theories, i.e., B3LYP/6-31+G(d) and M06-2X/6-31+G(d,p). The… read more here.
Keywords: poly ethylenedioxythiophene; selectivity; co2 so2; towards co2 ... See more keywords
Engineering pore surface and morphology of microporous organic polymers for improved affinity towards CO2
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2019.05.003
Abstract: Abstract The increasing carbon dioxide (CO2) emissions from coal-fired power plants exacerbates the need for polymeric sorbents that can preferentially capture CO2 over nitrogen (N2). Herein we report two amine-functionalized microporous organic polymers (PTPNHs) through… read more here.
Keywords: towards co2; organic polymers; microporous organic; surface ... See more keywords
Metal nitrene-like reactivity of a SiN bond towards CO2
Sign Up to like & getrecommendations! Published in 2018 at "Chemical Communications"
DOI: 10.1039/c8cc05238g
Abstract: The unusual reactivity of the SiN bond in metallo-iminosilane [DippN = Si(OSiMe3)Ni(Cl)(NHC)2] 1 towards CO2 and cyclohexyl isocyanate (CyNCO) is reported; it reacts with two molar equiv. of CO2 to give the [2+2+2] cycloaddition product… read more here.
Keywords: reactivity sin; metal nitrene; towards co2; sin bond ... See more keywords