About: Theoretical study of the oxidative polymerization of aniline with peroxydisulfate: tetramer formation

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Semi-empirical quantum chemical study of the oxidative polymerization of aniline with ammonium peroxydisulfate in aqueous solutions without added acid has been based on the MNDO-PM3 computations. The main reaction routes of aniline tetramerization are proposed. Various molecular (branched vs. linear) oligomeric structures produced at different level of acidity during the course of polymerization and their impact on the formation of supramolecular structures of conducting polyaniline (nanorods and nanotubes vs. granular morphology), are discussed. Semi-empirical quantum chemical study of the oxidative polymerization of aniline with ammonium peroxydisulfate in aqueous solutions without added acid has been based on the MNDO-PM3 computations. The main reaction routes of aniline tetramerization are proposed. Various molecular (branched vs. linear) oligomeric structures produced at different level of acidity during the course of polymerization and their impact on the formation of supramolecular structures of conducting polyaniline (nanorods and nanotubes vs. granular morphology), are discussed. (en) Semi-empirické kvantově-chemické studium oxidační polymerace anilinu persíranem amonným ve vodném prostředí bez přítomnosti kyseliny bylo založeno na MNDO-PM3 výpočtech. Byly navrženy hlavní reakční cesty tetramerizace anilinu. Byla provedena diskuse různých oligomerních struktur (větvené vs lineární) vznikajících za různých úrovní kyselosti v průběhu polymerace a jejich dopad na tvorbu supramolekulární struktury (nanotrubky, nanovlákna vs granule) vodivého polyanilinu. (cs)
Title	Theoretical study of the oxidative polymerization of aniline with peroxydisulfate: tetramer formation Theoretical study of the oxidative polymerization of aniline with peroxydisulfate: tetramer formation (en) Teoretická studie oxidační polymerace anilinu persíranem amonným: tvorba tetramerů (cs)
skos:prefLabel	Theoretical study of the oxidative polymerization of aniline with peroxydisulfate: tetramer formation Theoretical study of the oxidative polymerization of aniline with peroxydisulfate: tetramer formation (en) Teoretická studie oxidační polymerace anilinu persíranem amonným: tvorba tetramerů (cs)
skos:notation	RIV/61389013:_____/08:00090037!RIV08-AV0-61389013
http://linked.open.../vavai/riv/strany	318;333
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Stejskal, Jaroslav Trchová, Miroslava
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	399831
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/08:00090037
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	aniline; oxidative polymerization; polyaniline; polymerization mechanism; tetramer (en)
http://linked.open.../riv/klicoveSlovo	polymerization mechanism tetramer aniline oxidative polymerization polyaniline
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[964FCB52D0FB]
http://linked.open...i/riv/nazevZdroje	International Journal of Quantum Chemistry
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Ciric-Marjanovic, G. Stejskal, Jaroslav Trchová, Miroslava
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie
issn	0020-7608
number of pages	16 (xsd:int)

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