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|Title:||Photoelectron spectra of dihydroxynaphthalenes||Authors:||Novak, I.
|Issue Date:||Sep-2000||Citation:||Novak, I., Kovač, B. (2000-09). Photoelectron spectra of dihydroxynaphthalenes. Journal of Electron Spectroscopy and Related Phenomena 109 (3) : 287-290. ScholarBank@NUS Repository. https://doi.org/10.1016/S0368-2048(00)00191-2||Abstract:||The He I photoelectron spectra of six isomeric dihydroxynapthalenes were recorded. Open shell SCF-CI calculations for the respective radical cations were used to analyze the spectra by considering relative band intensities and by comparing the resulting spectra with that of other naphthalenes. Four bands below the 11 eV ionization energy were observed in the spectra, and the presence of the hydroxy group was found to lead to the destabilization of the π-orbitals with high charge densities. The ionization energies and the reliability of quantum chemical calculations are presented.||Source Title:||Journal of Electron Spectroscopy and Related Phenomena||URI:||http://scholarbank.nus.edu.sg/handle/10635/76749||ISSN:||03682048||DOI:||10.1016/S0368-2048(00)00191-2|
|Appears in Collections:||Staff Publications|
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