Fragmentation of Methylphenylsilane and Trimethylphenylsilane: A Combined Theoretical and Experimental Study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216305%3A26310%2F15%3APU115409" target="_blank" >RIV/00216305:26310/15:PU115409 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1016/j.ijms.2015.05.004" target="_blank" >http://dx.doi.org/10.1016/j.ijms.2015.05.004</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.ijms.2015.05.004" target="_blank" >10.1016/j.ijms.2015.05.004</a>

Result language

angličtina

Original language name

Fragmentation of Methylphenylsilane and Trimethylphenylsilane: A Combined Theoretical and Experimental Study

Original language description

The electron impact ionization (EII) of methylphenylsilane (MPS), dimethylphenylsilane (DMPS) andtrimethylphenylsilane (TMPS) was investigated using the mass spectrometry technique. The composition of fragmentation products from MPS and TMPS measured in this work is interpreted with respect tothe ionization energy, appearance energies of fragments and bond dissociation energies of selected bonds.The results are compared to the previously published experimental data for DMPS. Comparison with thetheoretical bond dissociation energies calculated using the density functional theory (DFT) calculationsis presented. Using the combined experimental and theoretical approaches, we have focused our recentstudies on the common features as well as basic differences of the fragmentation schemes of all threemolecules. The elimination of the H2molecule, specific for MPS but rarely observed in the other two compounds, was also of high interest in our studies. It can run in two mechanisms: (i) loss of two hydrogensone-by-one and (ii) elimination of H2in one step. We can predict which mechanism is more probableaccording to the DFT calculated energy profile of reaction. The calculated predictions were in correlationwith the composition of fragmentation products determined experimentally from mass spectra.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10403 - Physical chemistry

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2015

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

ISSN

1387-3806

e-ISSN

1873-2798

Volume of the periodical

385

Issue of the periodical within the volume

1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

12

Pages from-to

1-12

UT code for WoS article

000357545600001

EID of the result in the Scopus database

2-s2.0-84930755716