VIBRATION -ROTATION INTENSITIES IN $H_{2}O$ TYPE MOLECULES, APPLICATION TO THE 2$\nu_{2}$, $\nu_{1}$ AND $\nu_{3}$ BANDS OF $H_{2}^{16}O$
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Date
1974
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Ohio State University
Abstract
The general expansion of Che transformed dipole moment for a bent $XY_{2}$ molecule, including terms up to degree 2 in $J_\alpha(\alpha = x, y, z)$, is obtained according to symmetry consideration. Using this expansion, the wavefunctions of the ground state$^{1}$, and of the 3 interacting states (020), (100) and (001)$^{2}$, we have been able to perform a very good fit of the experimental results available on the $2\nu_{2}$, $\nu_{1}$ and $\nu_{3}$ bands of $H_{2}^{16}O$. From them we have obtained the following values for the coefficients of the expansion of the dipole moment with respect to normal coordinates: $$^{22}\mu_{x}\cong0.014\pm0.003\mbox{ D}, ^{1}\mu_{x}=-0.0217_{0}\pm0.0010\mbox{ D}, ^{3}\mu_{z}=0.0971_{4}\pm 0.0018\mbox{ D} $$
Description
$^{1}$J. M. Flaud and C. Camy-Peyret, Mol. Phys. 26, 811 (1973). $^{2}$J. M. Flaud and C. Camy-Peyret, J. Mol, Spectrosc, (1974).
Author Institution: Laboratoire de Physique, Mol\'{e}culaire et d'Optique Atmosph\'{e}rique
Author Institution: Laboratoire de Physique, Mol\'{e}culaire et d'Optique Atmosph\'{e}rique