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- W2913592871 endingPage "1593" @default.
- W2913592871 startingPage "1581" @default.
- W2913592871 abstract "Propiolic acid (HCCCOOH, PA) was studied experimentally by infrared spectroscopy in a nitrogen matrix and by ab initio calculations. The vibrational spectra of the cis and trans monomers (O═C—O—H dihedral equal to 0 and 180°, respectively) were measured and assigned. The trans-PA monomer was produced by selective vibrational excitation of the cis-PA monomer molecules trapped in different matrix sites. Broadband in situ UV irradiation (λ > 235 nm) of matrix-isolated PA yielded as product the higher-energy trans conformer, with no other photoproducts being detected. Two cis–cis dimers were also identified in the matrixes and characterized structurally and vibrationally. trans-PA was found to decay back to cis-PA in the dark, by tunneling, and the different lifetimes of the higher-energy PA conformer resulting from pumping different matrix sites and different experimental conditions (using a filter blocking the higher-energy IR radiation of the spectrometer source and without using such a filter) were discussed." @default.
- W2913592871 created "2019-02-21" @default.
- W2913592871 creator A5009400983 @default.
- W2913592871 creator A5024456974 @default.
- W2913592871 creator A5026193981 @default.
- W2913592871 date "2019-01-30" @default.
- W2913592871 modified "2023-10-10" @default.
- W2913592871 title "Propiolic Acid in Solid Nitrogen: NIR- and UV-Induced <i>cis</i> → <i>trans</i> Isomerization and Matrix-Site-Dependent <i>trans</i> → <i>cis</i> Tunneling" @default.
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- W2913592871 doi "https://doi.org/10.1021/acs.jpca.8b11319" @default.
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- W2913592871 hasPublicationYear "2019" @default.
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