Zero Kinetic Energy Photoelectron Spectroscopy of Benzo[h]quinoline Public Deposited

http://ir.library.oregonstate.edu/concern/articles/v405sc380

This is an author's peer-reviewed final manuscript, as accepted by the publisher. The published article is copyrighted by the American Chemical Society and can be found at:  http://pubs.acs.org/doi/10.1021/acs.jpca.5b03660

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  • We report zero kinetic energy (ZEKE) photoelectron spectroscopy of benzo[h]quinoline (BhQ) via resonantly enhanced multiphoton ionization (REMPI) through the first electronically excited state S₁. From the simulated REMPI spectra with and without Herzberg–Teller coupling, we conclude that vibronic coupling plays a minor but observable role in the electronic excitation to the S₁ state. We further compare the S₁ state of BhQ with the first two electronically excited states of phenanthrene, noticing a similarity of the S₁ state of BhQ with the second electronically excited state S₂ of phenanthrene. In the ZEKE spectra of BhQ, the vibrational frequencies of the cationic state D₀ are consistently higher than those of the intermediate neutral state, indicating enhanced bonding upon ionization. The sparse ZEKE spectra, compared with the spectrum of phenanthrene containing rich vibronic activities, further imply that the nitrogen atom has attenuated the structural change between S₁ and D₀ states. We speculate that the nitrogen atom can withdraw an electron in the S₁ state and donate an electron in the D₀ state, thereby minimizing the structural change during ionization. The origin of the first electronically excited state is determined to be 29 410 ± 5 cm⁻¹, and the adiabatic ionization potential is determined to be 65 064 ± 7 cm⁻¹.
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  • Harthcock, C., Zhang, J., & Kong, W. (2015). Zero Kinetic Energy Photoelectron Spectroscopy of Benzo[h]quinoline. The Journal of Physical Chemistry A, 119(50), 11997-12004. doi:10.1021/acs.jpca.5b03660
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  • description.provenance : Submitted by Open Access (openaccess@library.oregonstate.edu) on 2016-08-01T23:12:36Z No. of bitstreams: 1 BhQ_CH15 WK.docx: 187200 bytes, checksum: 238902150bac600962752b9fdb7854d2 (MD5)
  • description.provenance : Approved for entry into archive by Deanne Bruner(deanne.bruner@oregonstate.edu) on 2016-08-03T00:08:35Z (GMT) No. of bitstreams: 2 kongwe@oregonstate.edu2128183942.zip: 182827 bytes, checksum: c0cc58e95facd084281f1857bc20addd (MD5) BhQ_CH15 WK.docx: 187200 bytes, checksum: 238902150bac600962752b9fdb7854d2 (MD5)
  • description.provenance : Made available in DSpace on 2016-08-03T00:08:35Z (GMT). No. of bitstreams: 2 kongwe@oregonstate.edu2128183942.zip: 182827 bytes, checksum: c0cc58e95facd084281f1857bc20addd (MD5) BhQ_CH15 WK.docx: 187200 bytes, checksum: 238902150bac600962752b9fdb7854d2 (MD5) Previous issue date: 2015-12-17

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