Rotational spectroscopy of isotopic oxirane, c-C2H4O

被引:12
作者
Mueller, Holger S. P. [1 ]
Guillemin, Jean-Claude [2 ]
Lewen, Frank [1 ]
Schlemmer, Stephan [1 ]
机构
[1] Univ Cologne, Astrophys Phys Inst 1, Zulpicher Str 77, D-50937 Cologne, Germany
[2] Univ Rennes, Ecole Natl Super Chim Rennes, CNRS, ISCR UMR 6226, F-35000 Rennes, France
关键词
Rotational spectroscopy; Submillimeter spectroscopy; Interstellar molecule; Cyclic molecule; Centrifugal distortion; Reduced Hamiltonian; ETHYLENE-OXIDE; MOLECULAR-SPECTROSCOPY; COLOGNE DATABASE; WAVE SPECTRUM; MILLIMETER; ABUNDANCES;
D O I
10.1016/j.jms.2022.111584
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
We studied the rotational spectrum of oxirane in a sample of natural isotopic composition in selected regions between 158 GHz and 1093 GHz. Investigations of the isotopologs with one C-13 or one O-18 were the primary focus in order to facilitate searches for them in space. We also examined the main isotopic species mainly to look into the performance of Watson's A and S reductions both in an oblate and in a prolate representation. Even though oxirane is a rather asymmetric oblate rotor, the A reduction in the IIIl representation did not yield a satisfactory fit, as was observed frequently earlier for other molecules. The other three combinations yielded satisfactory fits of similar quality among each other; the A reduction in the I-r representation required two parameters less than both S reduction fits.
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页数:7
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