Molecular Spectroscopic Data
- Microwave Spectral Data:
Diatomics, Triatomics, and Hydrocarbons
- F.J. Lovas, E. Tiemann, and R.D. Suenram
- These three databases of diatomic, triatomic, and hydrocarbon molecules were
originally published as spectral tables in the Journal of Physical and Chemical
Reference Data. Each of the databases covers primarily the microwave region
with some data available for the radio frequency region.
- Wavenumber Tables for
Calibration of Infrared Spectrometers
- Arthur G. Maki and Joseph S. Wells
- This database is an atlas of molecular spectra and associated
tables of wavenumbers from heterodyne frequency measurements for
the calibration of infrared spectrometers. Five molecules are
included in the atlas: CO, OCS, N2O, NO, and CS2. The
spectra cover the 488 cm-1 to 3120 cm-1 and
4000 cm-1 to 4400 cm-1 regions.
- Frequencies for
Interstellar Molecular Microwave Transitions
- Frank J. Lovas
- This database contains critically evaluated transition frequencies for molecular
transitions detected in interstellar and circumstellar clouds recommended by NIST
for reference in future astronomical observations in the centimeter and millimeter
wavelength regions. The transition frequencies have been selected through a
critical examination and analysis of the laboratory spectral data obtained from
the literature through December 2002. The information tabulated includes the
species identity, transition frequency, uncertainty, and quantum state labels.
For convenience, representative line antenna temperatures are listed for a typical
astronomical source for each transition, and the references are cited for the
laboratory and astronomical literature that have been employed.
- Photoionization of CO2
(ARPES)
- A.C. Parr, J.B. West, M.R.F. King, K. Ueda,
P.M. Dehmer, and J.L. Dehmer
- The vibrational branching ratios and asymmetry parameters for CO2
have been determined in the wavelength region of 650 Å to near the
ionization onset at about 840 Å. The study was performed using
synchrotron radiation from the Daresbury storage ring that was dispersed with a
5 m grating monochromator that afforded resolution of 0.1 Å to
0.2 Å. This resolution allowed the study of the branching ratios and
asymmetry parameters with enough detail to see the changes in the parameters
within the pronounced autoionization structure in CO2 in this
wavelength region. While the electron spectrometer resolution was not
sufficient to resolve the spin orbit and Renner-Teller splitting in the
photoelectron spectra, we are able to fit the data with a model that identifies
the major structure in terms of the symmetric stretch and elements of the
asymmetric stretch and bending modes. A calculation of the expected relative
vibrational excitations based upon the Franck-Condon principle clearly showed
non-Franck-Condon behavior in some of the vibrational-electronic transitions.
- Diatomic Calculations: Equations
& Underpinning Theory
- Jon T. Hougen
- Procedures are described, in this pedagogical monograph, for making quantum
mechanical calculations of rotational energy levels and rotational line
intensities in diatomic molecules. The procedures are illustrated by sample
calculations. A familiarity with the material of this report should enable a
practicing electronic spectroscopist to carry out, though in a rather
mechanical way, his own theoretical calculations for molecules under
experimental investigation. The material of this report is aimed at electronic
spectroscopists who have had the equivalent of one semester of graduate level
quantum mechanics.
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Online: August 1997 - Last update: July 2004
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