Radiative transition probabilities in the state of

✍ Scribed by C. Léonard; M. Diehr; P. Rosmus; W.C. Maguire

• Publisher: Elsevier Science
• Year: 2008
• Tongue: English
• Weight: 239 KB
• Volume: 109
• Category: Article
• ISSN: 0022-4073
• DOI: 10.1016/j.jqsrt.2007.07.011

✦ Synopsis

Using ab initio calculated potential energy and electric dipole moment functions, absolute radiative transition probabilities between the rovibronic Renner-Teller states of the electronic ground state X 2 P g of CO þ

2 have been evaluated. The rovibronic eigenstates were obtained (up to 6500 cm À1 and Jp 13

2 ) from variational calculations including the Renner-Teller and spin-orbit angular momentum couplings. The absolute intensities for the rovibrational states of the neutral CO 2 electronic ground state, calculated by a similar approach, are found to be in excellent agreement with experimental data. For CO þ 2 the presented results are expected to have similar accuracy. It is found that the overtone intensities of the antisymmetric stretching mode of CO þ 2 are of similar magnitude as the fundamental transitions, in contrast with CO 2 . The theoretically generated IR-emission spectrum is compared with the limb spectrum of the Mars atmosphere, measured by the Thermal Emission Spectrometer on Mars Global Surveyor.