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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F04%3A00003520%21RIV08-MSM-25310___
rdf:type
n6:Vysledek skos:Concept
dcterms:description
Tepelná stálost dvaceti pěti polynitroarenů byla stanovena ne-izotermickou diferenční termickou analýzou (DTA), a byla vyjádřena jako počátek tepelné dekompozice. Elementární náboje na dusíkových atomech z polynitroarenů byly vypočítán ab initio DFT B3LYP/6-31G** metodou. Vztah byl potvrzený mezi zmíněnými počátky rozkladu a čtverci hodnot nábojů dusíků nitroskupin, které jako první podléhají odštěpení. Ve smyslu tohoto vztahu, se studované substance dělí do pěti skupin. Principu vztahu a důvod této separace jsou diskutované. Stabilizační vliv krystalické mřížky studovaný polynitroarenú může být posouzen pomocí DTA-měření těchto substancí v jejich roztoku v 1,3,5-trinitrobenzenu. Thermal stability of twenty-five polynitro arenes has been examined by means of non-isothermal differential thermal analysis (DTA), and it was expressed as an onset of thermal decomposition, TD. Electronic charges, qN, at nitrogen atoms of the polynitro arene molecules were calculated by means of the ab initio DFT B3LYP/6-31G** method. The relationship was confirmed between the onsets TD and squares of the qN values for the nitro groups that are primarily split off. In the sense of this relationship, the compounds studied fall into five groups. The reason of this diversification and principle of the relationship existence are discussed. It is stated that stabilising influence of the crystal lattice of the studied polynitro arenes can be evaluated by DTA of solutions of these compounds in 1,3,5-trinitrobenzene (TNB). Thermal stability of twenty-five polynitro arenes has been examined by means of non-isothermal differential thermal analysis (DTA), and it was expressed as an onset of thermal decomposition, TD. Electronic charges, qN, at nitrogen atoms of the polynitro arene molecules were calculated by means of the ab initio DFT B3LYP/6-31G** method. The relationship was confirmed between the onsets TD and squares of the qN values for the nitro groups that are primarily split off. In the sense of this relationship, the compounds studied fall into five groups. The reason of this diversification and principle of the relationship existence are discussed. It is stated that stabilising influence of the crystal lattice of the studied polynitro arenes can be evaluated by DTA of solutions of these compounds in 1,3,5-trinitrobenzene (TNB).
dcterms:title
Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes Vztah mezi elektronovými náboji dusíkových atomů nitroskupin a počátky tepelného rozkladu polynitroarenů Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes
skos:prefLabel
Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes Relationship between Electronic Charges at Nitrogen Atoms of Nitro Groups and Onsets of Thermal Decomposition of Polynitro Arenes Vztah mezi elektronovými náboji dusíkových atomů nitroskupin a počátky tepelného rozkladu polynitroarenů
skos:notation
RIV/00216275:25310/04:00003520!RIV08-MSM-25310___
n4:strany
3-21
n4:aktivita
n12:S
n4:aktivity
S
n4:cisloPeriodika
1
n4:dodaniDat
n13:2008
n4:domaciTvurceVysledku
n16:3859908
n4:druhVysledku
n14:J
n4:duvernostUdaju
n9:S
n4:entitaPredkladatele
n7:predkladatel
n4:idSjednocenehoVysledku
584200
n4:idVysledku
RIV/00216275:25310/04:00003520
n4:jazykVysledku
n15:eng
n4:klicovaSlova
Thermal stability; polynitro arenes; differential thermal analysis; 1,3,5-trinitrobenzene; Thermal Decomposition
n4:klicoveSlovo
n8:polynitro%20arenes n8:5-trinitrobenzene n8:3 n8:differential%20thermal%20analysis n8:Thermal%20Decomposition n8:Thermal%20stability n8:1
n4:kodStatuVydavatele
PL - Polská republika
n4:kontrolniKodProRIV
[19609EF45646]
n4:nazevZdroje
Central European Journal of Energetic Materials
n4:obor
n17:CC
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
2
n4:rokUplatneniVysledku
n13:2004
n4:svazekPeriodika
N
n4:tvurceVysledku
Zeman, Svatopluk Friedl, Zdeněk
s:issn
1733-7178
s:numberOfPages
19
n11:organizacniJednotka
25310