Universität zu Köln

Mueller, Holger S. P., Spezzano, Silvia, Bizzocchi, Luca ORCID: 0000-0002-9953-8593, Gottlieb, Carl A., Degli Esposti, Claudio and McCarthy, Michael C. (2013). Rotational Spectroscopy of lsotopologues of Silicon Monoxide, SiO, and Spectroscopic Parameters from a Combined Fit of Rotational and Rovibrational Data. J. Phys. Chem. A, 117 (50). S. 13843 - 13855. WASHINGTON: AMER CHEMICAL SOC. ISSN 1089-5639

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Abstract

Pure rotational transitions of silicon monoxide, involving the main ((28)si(16)O) as well as several rare isotopic species, were observed in their ground vibrational states by employing long-path absorption spectroscopy between 86 and 825 GHz (1 <= J <= 18). Fourier transform microwave spectroscopy was used to study the J = 0 transition frequencies in the ground and several vibrationally excited states. The vibrational excitation of the newly studied isotopologues extend to between v = 9 and 29 for (SiO)-Si-28-O-17 and (30)si(16)O, respectively. Data were extended for some previously investigated species up to v = 51 for the main isotopologue. The high spectral resolution allowed us to resolve the hyperfine structure in (SiO)-Si-28-O-17 caused by the nuclear electric quadrupole and magnetic dipole moments of O-17 for the first time, and to resolve the much smaller nuclear spin-rotation splitting for isotopic species containing Si-29. These data were combined with previous rotational and rovibrational (infrared) data to determine an improved set of spectroscopic parameters of SiO in one global fit which takes the breakdown of the Born Oppenheimer approximation into account. Highly accurate rotational transition frequencies for this important astronomical molecule can now be predicted well into the terahertz region with this parameter set. In addition, a more complete comparison among physical properties of group 14/16 diatomics is possible.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Mueller, Holger S. P. UNSPECIFIED UNSPECIFIED UNSPECIFIED Spezzano, Silvia UNSPECIFIED UNSPECIFIED UNSPECIFIED Bizzocchi, Luca UNSPECIFIED orcid.org/0000-0002-9953-8593 UNSPECIFIED Gottlieb, Carl A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Degli Esposti, Claudio UNSPECIFIED UNSPECIFIED UNSPECIFIED McCarthy, Michael C. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-469988
DOI:	10.1021/jp408391f
Journal or Publication Title:	J. Phys. Chem. A
Volume:	117
Number:	50
Page Range:	S. 13843 - 13855
Date:	2013
Publisher:	AMER CHEMICAL SOC
Place of Publication:	WASHINGTON
ISSN:	1089-5639
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language BORN-OPPENHEIMER BREAKDOWN; MILLIMETER-WAVE; INFRARED-SPECTRUM; HERSCHEL/HIFI OBSERVATIONS; MOLECULAR-SPECTROSCOPY; LABORATORY FREQUENCIES; HYPERFINE STRUCTURES; MICROWAVE-SPECTRUM; COLOGNE DATABASE; MASER EMISSION Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/46998