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Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C7 H7.


ABSTRACT: Disentangling the isomeric structure of C7 H7 + is a longstanding experimental issue. We report here the full mid-infrared vibrational spectrum of C7 H7 + tagged with Ne obtained with infrared-predissociation spectroscopy at 10?K. Saturation depletion measurements were used to assign the contribution of benzylium and tropylium isomers and demonstrate that no other isomer is involved. Recorded spectral features compare well with density functional theory calculations. This opens perspectives for a better understanding and control of the formation paths leading to either tropylium or benzylium ions.

SUBMITTER: Jusko P 

PROVIDER: S-EPMC6420061 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature

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Direct Evidence of the Benzylium and Tropylium Cations as the Two Long-Lived Isomers of C<sub>7</sub> H<sub>7</sub>.

Jusko Pavol P   Simon Aude A   Banhatti Shreyak S   Brünken Sandra S   Joblin Christine C  

Chemphyschem : a European journal of chemical physics and physical chemistry 20180920


Disentangling the isomeric structure of C<sub>7</sub> H<sub>7</sub> <sup>+</sup> is a longstanding experimental issue. We report here the full mid-infrared vibrational spectrum of C<sub>7</sub> H<sub>7</sub> <sup>+</sup> tagged with Ne obtained with infrared-predissociation spectroscopy at 10 K. Saturation depletion measurements were used to assign the contribution of benzylium and tropylium isomers and demonstrate that no other isomer is involved. Recorded spectral features compare well with de  ...[more]

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