JCP Nameplate
  • Volume/Page
  • Keyword
  • DOI
  • Citation
  • Advanced
   
 
 
 

You Tube Flickr Twitter UniPHY Group iResearch App Facebook

Journal of Chemical Physics / Volume 109 / Issue 3 / GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY

J. Chem. Phys. 109, 906 (1998); http://dx.doi.org/10.1063/1.476631 (6 pages)

Laser spectroscopy of free pentacene molecules (I): The rotational structure of the vibrationless S1←S0 transition

E. Heinecke, D. Hartmann, R. Müller, and A. Hese

Institut für Atomare und Analytische Physik, Technische Universität Berlin (formerly Inst. f. Strahlungs- u. Kernphysik), Hardenbergstr. 36, D-10623 Berlin, Germany

(Received 10 July 1997; accepted 8 April 1998)

The rotational structure of the vibrationless S1←S0 transition of pentacene has been investigated using a strongly collimated seeded supersonic argon beam. Because single rotational lines could not be completely resolved, a band contour analysis was performed. The rotational constants of the electronic ground state X 1A1g were found to be under the asymmetric rotor approximation A″ = 1320.6(9), B″ = 117.97(9), C″ = 108.28(15) MHz, whereas the differences to the first electronic excited state A 1B2u are ΔA = A′−A″ = 13.2(3), ΔB = −0.764(45), ΔC = −0.54(6) MHz. A new value of the band origin was determined to be ν00 = 18 648.996(4) cm−1 and the band type was confirmed to be of type b as proposed by symmetry arguments. Good agreement between observed and calculated spectra was obtained assuming planarity in both ground and excited state. From the fit procedure a rotational temperature of about 7 K was deduced. The nuclear statistical weights of the electronic ground state are reported. © 1998 American Institute of Physics.

© 1998 American Institute of Physics

RELATED DATABASES

To view database links for this article, you need to log in.

KEYWORDS and PACS

Keywords

organic compounds, rotational states, spectral line breadth, ground states, visible spectra

PACS

  • 33.20.Kf

    Visible spectra

  • 33.15.Mt

    Rotation, vibration, and vibration-rotation constants

  • 33.20.Sn

    Rotational analysis

  • 33.70.Jg

    Line and band widths, shapes, and shifts

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.476631

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

For access to fully linked references, you need to log in.
    W. E. Moerner and L. Kador, Phys. Rev. Lett. 62, 2535 (1989).

    M. Orrit and J. Bernard, Phys. Rev. Lett. 65, 2716 (1990).

    T. E. Orlowski and A. H. Zewail, J. Chem. Phys. 70, 1390 (1979)JCPSA6000070000003001390000001.

    H. de Vries and D. Wiersma, J. Chem. Phys. 70, 5807 (1979)JCPSA6000070000012005807000001.

    S. Heitz, D. Weidauer, and A. Hese, J. Chem. Phys. 96, 976 (1992)JCPSA6000096000002000976000001.

    S. Heitz, D. Weidauer, and A. Hese, J. Chem. Phys. 95, 7952 (1991)JCPSA6000095000011007952000001.

    A. Amirav, U. Even, and J. Jortner, J. Chem. Phys. 71, 2319 (1979)JCPSA6000071000005002319000001.


For access to citing articles, you need to log in.


Close

Google Calendar

ADVERTISEMENT

Your Recent History Recent History Help

Recently Viewed

  1. Laser spectroscopy of free pentacene molecules (I): The rotational structure of the vibrationless S1←S0 transition
  2. Calculation of DFT-GIAO NMR shifts with the inclusion of spin-orbit coupling
  3. A quantum electrodynamical treatment of second harmonic generation through phase conjugate six-wave mixing: Polarization analysis
  4. Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry
  5. A stochastic technique for solving the Lorentz–Boltzmann equation for hard spheres: Application to the kinetics of gas absorption
Go to AIP Home
Copyright © American Institute of Physics
close