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Statements

Subject Item
n2:RIV%2F61389013%3A_____%2F06%3A00042313%21RIV07-AV0-61389013
rdf:type
n14:Vysledek skos:Concept
dcterms:description
The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2-benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied. Teoretický přístup ke studiu mechanismu polymerace anilinu je založen na MNDO-PM3 semi-empirických kvantově-mechanických výpočtech reakčního tepla při tvorbě dimerů a trimerů jako meziproduktů polymerace anilinu. Byla analyzována oxidace anilinu ve vodném prostředí bez přídavku kyseliny. Bylo ukázáno, že reaktivním elektrofilním prvkem generovaným při oxidaci anilinu s dvouelektronovým oxidantem, peroxydvojsíranem amonným, je v počáteční fázi polymerace anilinový nitreniový kation. Byl studován vliv protonace na oxidovatelnost anilinu a reakčních meziproduktů. The theoretical approach to the study of aniline polymerization mechanism has been based on the MNDO-PM3 semi-empirical quantum chemical computations of the heat of formation of aniline dimer and trimer intermediates. The oxidation in aqueous medium without added acid is analyzed. The aniline nitrenium cation is proposed to be the reactive electrophilic species generated by the oxidation of aniline with a two-electron oxidant, ammonium peroxydisulfate, in the initiation phase. 4-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,4-benzoquinonediimine, are the main dimeric products. 2-Aminodiphenylamine and its fully oxidized form, N-phenyl-1,2-benzoquinonediimine, are the most important side products of aniline dimerization. The influence of protonation on the oxidizability of aniline and reaction intermediates was studied.
dcterms:title
MNDO-PM3 study of the early stages of aniline oxidative polymerization MNDO-PM3 study of the early stages of aniline oxidative polymerization MNDO-PM3 studium raných stádií oxidativní polymerace anilinu
skos:prefLabel
MNDO-PM3 study of the early stages of aniline oxidative polymerization MNDO-PM3 study of the early stages of aniline oxidative polymerization MNDO-PM3 studium raných stádií oxidativní polymerace anilinu
skos:notation
RIV/61389013:_____/06:00042313!RIV07-AV0-61389013
n4:strany
1407;1426
n4:aktivita
n5:P n5:Z
n4:aktivity
P(IAA400500504), P(IAA4050313), Z(AV0Z40500505)
n4:cisloPeriodika
10
n4:dodaniDat
n15:2007
n4:domaciTvurceVysledku
n13:5920647 n13:2524147
n4:druhVysledku
n17:J
n4:duvernostUdaju
n9:S
n4:entitaPredkladatele
n10:predkladatel
n4:idSjednocenehoVysledku
486018
n4:idVysledku
RIV/61389013:_____/06:00042313
n4:jazykVysledku
n16:eng
n4:klicovaSlova
aniline; aniline oligomers; conducting polymers
n4:klicoveSlovo
n8:aniline n8:aniline%20oligomers n8:conducting%20polymers
n4:kodStatuVydavatele
CZ - Česká republika
n4:kontrolniKodProRIV
[A407636013D5]
n4:nazevZdroje
Collection of Czechoslovak Chemical Communications
n4:obor
n18:BM
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
3
n4:projekt
n7:IAA4050313 n7:IAA400500504
n4:rokUplatneniVysledku
n15:2006
n4:svazekPeriodika
71
n4:tvurceVysledku
Ciric-Marjanovic, G. Stejskal, Jaroslav Trchová, Miroslava
n4:zamer
n12:AV0Z40500505
s:issn
0010-0765
s:numberOfPages
20