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Krechkivska O, Wilcox CM, Chan B, et al. H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations. J Phys Chem A. 2015;119(13):3225-32doi: 10.1021/acs.jpca.5b01652.
Krechkivska, O., Wilcox, C. M., Chan, B., Jacob, R., Liu, Y., Nauta, K., Kable, S. H., Radom, L., & Schmidt, T. W. (2015). H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations. The journal of physical chemistry. A, 119(13), 3225-32. https://doi.org/10.1021/acs.jpca.5b01652
Krechkivska, Olha, et al. "H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations." The journal of physical chemistry. A vol. 119,13 (2015): 3225-32. doi: https://doi.org/10.1021/acs.jpca.5b01652
Krechkivska O, Wilcox CM, Chan B, Jacob R, Liu Y, Nauta K, Kable SH, Radom L, Schmidt TW. H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations. J Phys Chem A. 2015 Apr 02;119(13):3225-32. doi: 10.1021/acs.jpca.5b01652. Epub 2015 Mar 19. PMID: 25756850.
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J Phys Chem A. 2015 Apr 02;119(13):3225-32. doi: 10.1021/acs.jpca.5b01652. Epub 2015 Mar 19.

H and D attachment to naphthalene: spectra and thermochemistry of cold gas-phase 1-C10H9 and 1-C10H8D radicals and cations.

The journal of physical chemistry. A

Olha Krechkivska, Callan M Wilcox, Bun Chan, Rebecca Jacob, Yu Liu, Klaas Nauta, Scott H Kable, Leo Radom, Timothy W Schmidt

Affiliations

  1. †School of Chemistry, The University of New South Wales, Sydney, New South Wales 2052, Australia.
  2. ‡School of Chemistry and Centre of Excellence for Free Radical Chemistry and Biotechnology, The University of Sydney, Sydney, New South Wales 2006, Australia.

PMID: 25756850 DOI: 10.1021/acs.jpca.5b01652

Abstract

Excitation spectra of the 1H-naphthalene (1-C10H9) and 1D-naphthalene (1-C10H8D) radicals, and their cations, are obtained by laser spectroscopy and mass spectrometry of a skimmed free-jet expansion following an electrical discharge. The spectra are assigned on the basis of density functional theory calculations. Isotopic shifts in origin transitions, vibrational frequencies and ionization energies were found to be well reproduced by (time-dependent) density functional theory. Absolute bond dissociation energies, ionization energies and proton affinities were calculated using high-level quantum chemical methods.

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