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| Description
| - Mechanismus postupné fragmentace methylaminu, CH3NH2, je studován pomocí neutralizační-reionizační hmotnostní spektrometrie (NRMS), isotopického značení a DFT výpočtů. Je ukázáno, že fragmentace za podmínek NRMS probíhají radikálovým mechanismem, který spočívá ve čtyřech jednotlivých přerušení X-H vazeb (X = C, N). V prvním kroce se odštěpuje vodíkový atom z methylové skupiny, dále následuje homolytické přerušení vazby N-H. Takto vytvořený meziprodukt CH2NH potom v konkurenci eliminuje vodíkový atom buď z dusíku, nebo z uhlíku, což vede k vytvoření radikálů H2CN nebo HCNH. Reakční sekvence je zakončena dalším homolytickým stěpením, které vede k HCN. Alternativní mechanismus probíhající přes úvodní 1,1-eliminaci H2 z methylové skupiny, následované 1,1-eliminací H2 z amino-skupiny je take uvažována. Tento mechanismus vyžaduje více energie. (cs)
- The mechanism of the consecutive fragmentation of methylamine, CH3NH2, is studied by means of neutralization-reionization mass spectrometry (NRMS), labeling experiments, and calculations employing density functional theory. It is shown that under the conditions of NRMS the fragmentations proceed by a radical mechanism that involves four distinct X-H bond cleavages (X = C, N). In the first step, a hydrogen atom is eliminated from the methyl group; next, homolytic cleavage of an N-H bond occurs. The so-formed CH2NH intermediate then, in competition, releases a hydrogen atom either from the nitrogen or the carbon part, resulting in the formation of the radicals H2CN. and HCNH., respectively. The reaction sequence is terminated by yet another homolytic bond cleavage to produce HCN. An alternative pathway proceeding by an initial 1,1-elimination of H-2 from the methyl group of CH3NH2, followed by a 1,1-elimination of H-2 from the amino function, is also considered, ...
- The mechanism of the consecutive fragmentation of methylamine, CH3NH2, is studied by means of neutralization-reionization mass spectrometry (NRMS), labeling experiments, and calculations employing density functional theory. It is shown that under the conditions of NRMS the fragmentations proceed by a radical mechanism that involves four distinct X-H bond cleavages (X = C, N). In the first step, a hydrogen atom is eliminated from the methyl group; next, homolytic cleavage of an N-H bond occurs. The so-formed CH2NH intermediate then, in competition, releases a hydrogen atom either from the nitrogen or the carbon part, resulting in the formation of the radicals H2CN. and HCNH., respectively. The reaction sequence is terminated by yet another homolytic bond cleavage to produce HCN. An alternative pathway proceeding by an initial 1,1-elimination of H-2 from the methyl group of CH3NH2, followed by a 1,1-elimination of H-2 from the amino function, is also considered, ... (en)
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| Title
| - Unimolecular fragmentation of CH3NH2: Towards a mechanistic description of HCN formation
- Unimolecular fragmentation of CH3NH2: Towards a mechanistic description of HCN formation (en)
- Unimolekulární fragmentace CH3NH2: směrem k popisu mechanismu tvorby HCN (cs)
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| skos:prefLabel
| - Unimolecular fragmentation of CH3NH2: Towards a mechanistic description of HCN formation
- Unimolecular fragmentation of CH3NH2: Towards a mechanistic description of HCN formation (en)
- Unimolekulární fragmentace CH3NH2: směrem k popisu mechanismu tvorby HCN (cs)
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| skos:notation
| - RIV/61388955:_____/05:00021515!RIV06-AV0-61388955
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| http://linked.open.../vavai/riv/strany
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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| http://linked.open...iv/cisloPeriodika
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| http://linked.open...vai/riv/dodaniDat
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| http://linked.open...aciTvurceVysledku
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| http://linked.open.../riv/druhVysledku
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| http://linked.open...iv/duvernostUdaju
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| http://linked.open...titaPredkladatele
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| http://linked.open...dnocenehoVysledku
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| http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/05:00021515
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - density functional calculations; dehydrogenation; mass spectrometry; methylamine (en)
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| http://linked.open.../riv/klicoveSlovo
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| http://linked.open...odStatuVydavatele
| - DE - Spolková republika Německo
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| http://linked.open...ontrolniKodProRIV
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| http://linked.open...i/riv/nazevZdroje
| - European Journal of Organic Chemistry
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| http://linked.open...in/vavai/riv/obor
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| http://linked.open...ichTvurcuVysledku
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| http://linked.open...cetTvurcuVysledku
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| http://linked.open...UplatneniVysledku
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| http://linked.open...v/svazekPeriodika
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| http://linked.open...iv/tvurceVysledku
| - Schwarz, H.
- Roithová, Jana
- Schröder, D.
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| http://linked.open...n/vavai/riv/zamer
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| issn
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| number of pages
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| is http://linked.open...avai/riv/vysledek
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