UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context

Details UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context

Nov 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009jchph.131t4311r&link_type=abstract

Journal of Chemical Physics, Volume 131, Issue 20, pp. 204311-204311-7 (2009).

Physics

Chemical Physics

7

Density Functional Theory, Excited States, Organic Compounds, Ultraviolet Spectra, Vibrational States, Visible Spectra, Ultraviolet Spectra, Visible Spectra, Atomic Processes And Interactions, Semi-Empirical And Empirical Calculations, Rotation, Vibration, And Vibration-Rotation Constants, Vibrational Analysis

Scientific paper

Absorption spectra of hexa-peri-hexabenzocoronene isolated in rare-gas matrices are reported for the wavelength range between 200 and 500 nm. Measurements were carried out in neon and in argon at 5.8 and 12.0 K, respectively. Calculations based on semiempirical models and on density-functional theory were performed to assign the observed features. The electronically excited states involved in Clar's α- and p-bands are identified as S1(B2u) and S2(B1u), respectively. Although the upper state associated with the β-band is found to be a 1E1u state, it remains undetermined whether it is S3 or S4. Structures in the β-band are interpreted as resulting from the interaction between the 1E1u state and the e2g vibrational manifold of S2(B1u). The new measurements are used to narrow down the wavelength ranges where the bands of hexa-peri-hexabenzocoronene should be found in the gas phase. A previous estimate of the interstellar abundance of this polycyclic aromatic hydrocarbon is discussed.

Affiliated with

Also associated with

No associations

Rating

UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and UV/visible spectroscopy of matrix-isolated hexa-peri-hexabenzocoronene: Interacting electronic states and astrophysical context will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1266431