INFRARED DIODE LASER SPECTROSCOPY OF THE $P=O (\nu_{2})$ FUNDAMENTAL BAND OF CIS-HOPO
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Date
2004
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Publisher
Ohio State University
Abstract
The $P=O (\nu_{2})$ stretching fundamental of the transient molecule cis-HOPO has been measured using high resolution infrared diode laser absorption spectroscopy. The molecule was formed in a flow system by reacting white phosphorus vapour and the products of a microwave discharge through a mixture of hydrogen and oxygen. Over 300 lines have been assigned between $1242 cm^{-1}$ and $1267 cm^{-1}$. The band has the structure of an a-type transition of an asymmetric rotor. Most of the assigned lines were included in a least squares fit using Watson's A-reduced Hamiltonian. The band origin is $1258.540021(12)cm^{-1}$. The rotational constants are in satisfactory agreement with those from Density Functional Theory and with those predicted from a comparison with the nitrogen analogue, cis-HONO:$A^{0} = 1.255036(55)$, $B_{0} = 0.3188211(99)$, $C_{0} = 0.2533085(91) A_{1} = 1.250424(55)$, $B_{1} = 0.3181419(96)$, $C_{1} = 0.2526089(96)$ Many of the remaining, unfitted lines are perturbed, particularly around $K_{a}=7$. The source of the perturbation will be considered.
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Author Institution: Department of Chemistry, University of Cambridge