Detail publikačního výsledku

Ionic Chemistry of Tetravinylsilane Cation (TVS+) Formed by Electron Impact: Theory and Experiment

BRITES, V.; CHAMBAUD, G.; HOCHLAF, M.; KOČIŠEK, J.; CAYAO, D.; MATĚJČÍK, Š.; KRČMA, F.

Originální název

Ionic Chemistry of Tetravinylsilane Cation (TVS+) Formed by Electron Impact: Theory and Experiment

Anglický název

Ionic Chemistry of Tetravinylsilane Cation (TVS+) Formed by Electron Impact: Theory and Experiment

Druh

Článek recenzovaný mimo WoS a Scopus

Originální abstrakt

We performed experimental and ab initio studies on tetravinylsilane cation (TVS+) and its ionic and neutral fragmentation products. The aim of the study is the assignment of the products formed in electron impact ionization reaction of TVS. The experimental data were compared with ab initio data calculated at the MP2/cc-pVDZ level of theory. We found good agreement between the calculated reaction enthalpies and experimental appearance energies of the ions. More generally, our calculations reveal that there is a competition between intramolecular isomerization and fragmentation processes occurring after ionization of TVS, leading to the formation of a multitude of neutral and ionic species important for characterizing the silicon-carbon-containing plasma and media. New routes for the synthesis of bearing silicon molecules are suggested.

Anglický abstrakt

We performed experimental and ab initio studies on tetravinylsilane cation (TVS+) and its ionic and neutral fragmentation products. The aim of the study is the assignment of the products formed in electron impact ionization reaction of TVS. The experimental data were compared with ab initio data calculated at the MP2/cc-pVDZ level of theory. We found good agreement between the calculated reaction enthalpies and experimental appearance energies of the ions. More generally, our calculations reveal that there is a competition between intramolecular isomerization and fragmentation processes occurring after ionization of TVS, leading to the formation of a multitude of neutral and ionic species important for characterizing the silicon-carbon-containing plasma and media. New routes for the synthesis of bearing silicon molecules are suggested.

Klíčová slova

ab initio calculation, tetravinylsilane fragmentation, cross beam experiment

Klíčová slova v angličtině

ab initio calculation, tetravinylsilane fragmentation, cross beam experiment

Autoři

BRITES, V.; CHAMBAUD, G.; HOCHLAF, M.; KOČIŠEK, J.; CAYAO, D.; MATĚJČÍK, Š.; KRČMA, F.

Rok RIV

2010

Vydáno

30.04.2009

ISSN

1089-5639

Periodikum

JOURNAL OF PHYSICAL CHEMISTRY A

Svazek

113

Číslo

23

Stát

Spojené státy americké

Strany od

6531

Strany do

6536

Strany počet

6

BibTex

@article{BUT49145,
  author="Vincent {Brites} and Gilberte {Chambaud} and Majdi {Hochlaf} and Jaroslav {Kočišek} and Diaz J. L. {Cayao} and Štefan {Matějčík} and František {Krčma}",
  title="Ionic Chemistry of Tetravinylsilane Cation (TVS+) Formed by Electron Impact: Theory and Experiment",
  journal="JOURNAL OF PHYSICAL CHEMISTRY A",
  year="2009",
  volume="113",
  number="23",
  pages="6531--6536",
  issn="1089-5639"
}