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Photodissociation Spectroscopy and Photofragment Imaging to Probe Fe+(Benzene)1,2 Dissociation Energies.

ABSTRACT: Tunable laser photodissociation spectroscopy measurements and photofragment imaging experiments are employed to investigate the dissociation energy of the Fe+(benzene) ion-molecule complex. Additional spectroscopy measurements determine the dissociation energy of Fe+(benzene)2. The dissociation energies for Fe+(benzene) determined from the threshold for the appearance of the Fe+ fragment (48.4 ± 0.2 kcal/mol) and photofragment imaging (≤49.3 ± 3.2 kcal/mol) agree nicely with each other and with the value determined previously by collision-induced dissociation (49.5 ± 2.9 kcal/mol), but they are lower than the values produced by computational chemistry at the density functional theory level using different functionals recommended for transition-metal chemistry. The threshold measurement for Fe+(benzene)2 (43.0 ± 0.2 kcal/mol) likewise agrees with the value (44.7 ± 3.8 kcal/mol) from previous collision-induced dissociation measurements.

SUBMITTER: Colley JE 

PROVIDER: S-EPMC10068738 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature

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Photodissociation Spectroscopy and Photofragment Imaging to Probe Fe<sup>+</sup>(Benzene)<sub>1,2</sub> Dissociation Energies.

Colley Jason E JE   Dynak Nathan J NJ   Blais John R C JRC   Duncan Michael A MA  

The journal of physical chemistry. A 20230315 12

Tunable laser photodissociation spectroscopy measurements and photofragment imaging experiments are employed to investigate the dissociation energy of the Fe<sup>+</sup>(benzene) ion-molecule complex. Additional spectroscopy measurements determine the dissociation energy of Fe<sup>+</sup>(benzene)<sub>2</sub>. The dissociation energies for Fe<sup>+</sup>(benzene) determined from the threshold for the appearance of the Fe<sup>+</sup> fragment (48.4 ± 0.2 kcal/mol) and photofragment imaging (≤49.3  ...[more]

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