Electric quadruple interaction of the oxygen molecule

Lagu, Sharadchandra Gopal (1968) Electric quadruple interaction of the oxygen molecule. Masters thesis, Memorial University of Newfoundland.

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Abstract

The intrinsic absorption coefficient of the oxygen molecule for the fundamental vibrational band has been calculated, assuming an electric quadrupole interaction of the molecule with the incident radiation. The quadrupole matrix elements are approximated by a cubic equation in r = R - Re, where 'R' is the internuclear distance and 'Re' is its equilibrium value. The wave function of the ground state of the oxygen molecule is written in the Born-Oppenheimer approximation, as a product of electronic and nuclear parts. Completely antisymmetrized orthogonalized molecular orbital wave functions are taken for the electronic part, while the nuclear part of the wave function is written as a product of rotational and vibrational wave functions. The simple harmonic wave functions are the taken for the vibrational part. -- The integrated absorption coefficients for O, Q and S branches and the total integrated absorption coefficient for the whole band, have been calculated. The results due to Bishop, Shapiro and the present investigation are as follows: -- Integrated absorption coefficient em⁻²/amagat -- Bishop 2.3 ± 0.9 X 10⁻³ -- Shapiro 3.0 ± 0.23 x 10⁻⁴ -- Present 1.45 x 10⁻⁴ -- These results are discussed at the end.

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