Unknown

Dataset Information

0

Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane.


ABSTRACT: A structural characterization of the products formed in the dissociative electron ionization of adamantane (C10 H16 ) is presented. Molecular structures of product ions are suggested based on multiple-photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum-chemical calculations. Product ions are individually isolated in an ion trap tandem mass spectrometer and their action IR spectra are recorded. Atomic hydrogen loss from adamantane yields the 1-adamantyl isomer. The IR spectrum of the C8 H11 + product ion is best reproduced by computed spectra of 2- and 4-protonated meta-xylene and ortho- and para-protonated ethylbenzenes. The spectrum of the product ion at m/z 93 suggests that it is composed of a mixture of ortho-protonated toluene, para-protonated toluene and 1,2-dihydrotropylium, while the spectrum of the m/z 79 ion is consistent with the benzenium ion. This study thus suggests that adamantane is efficiently converted into aromatic species and astrophysical implications for the interstellar medium are highlighted.

SUBMITTER: Bouwman J 

PROVIDER: S-EPMC6392131 | biostudies-other | 2018 Oct

REPOSITORIES: biostudies-other

altmetric image

Publications

Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane.

Bouwman Jordy J   Horst Stefan S   Oomens Jos J  

Chemphyschem : a European journal of chemical physics and physical chemistry 20181011


A structural characterization of the products formed in the dissociative electron ionization of adamantane (C<sub>10</sub> H<sub>16</sub> ) is presented. Molecular structures of product ions are suggested based on multiple-photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum-chemical calculations. Product ions are individually isolated in an ion trap tandem mass spectrometer and their action IR spectra are recorded. Atomic hy  ...[more]

Similar Datasets

| S-EPMC6240889 | biostudies-literature
| S-EPMC4526438 | biostudies-literature
| S-EPMC3243476 | biostudies-literature
| S-EPMC7179146 | biostudies-literature
| S-EPMC6916310 | biostudies-literature
| S-EPMC3243477 | biostudies-literature
| S-EPMC10533389 | biostudies-literature
| S-EPMC6283004 | biostudies-literature
| S-EPMC8418672 | biostudies-literature
| S-EPMC2533743 | biostudies-literature