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MICROWAVE SPECTRA, STRUCTURES AND MODELING OF THE $N_{2}O-SO_{2}$ AND $N_{2}O-N_{2}O-SO_{2}$ COMPLEXES

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/19933

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Title: MICROWAVE SPECTRA, STRUCTURES AND MODELING OF THE $N_{2}O-SO_{2}$ AND $N_{2}O-N_{2}O-SO_{2}$ COMPLEXES
Creators: Peebles, Rebecca A.; Kuczkowski, R. L.
Issue Date: 2000
Abstract: The microwave spectra of $N_{2}O-SO_{2}$ and $N_{2}O-N_{2}O-SO_{2}$ have been measured. The dimer lines are split due to a tunneling motion in the complex. The rotational constants of the higher frequency components of the doublets are A = 6126.9781(15) MHz, B = 1494.537(37) MHz and C = 1420.953(23) MHz, and those for the lower frequency components are A = 5500 MHz (fixed), B = 1463.484(23) MHz and C = 1435.474(36) MHz. The dipole moment has been measured, and the rotational constants for four isotopomers in addition to the normal species have allowed an inertial fit of the structure of the complex. The data indicate that the $SO2$ straddles the $N_{2}O$ asymmetrically ($C_{1}$ symmetry) with the sulfur closer to the oxygen end $N_{2}O$. The trimer rotational constants are A = 1369.10 (11) MHz, B = 1115.5816(11) MHz and C = 730.5790(4) MHz. The dipole moment and the spectra of four isotopomers in addition to the species have been measured. The $N_{2} O$ molecules have a structure that is intermediate between crossed and T-shaped; the $SO_{2}$ straddles one $N_{2} O$ and has one S-O bond aligned roughly parallel with the second $N_{2}O$. The structures of the dimer and trimer will be compared, and the success of semi-empirical and ab initio calculations at predicting the $N_{2}O-SO_{2}$ and $N_{2}O-N_{2}O-SO_{2}$ structures will also be explored.
URI: http://hdl.handle.net/1811/19933
Other Identifiers: 2000-WE-11
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