PRECISE LABORATORY MEASUREMENTS OF TRANS-DCOOH AND TRANS-HCOOD FOR ASTROPHYSICAL OBSERVATIONS

Journal Article · Thu Sep 01 00:00:00 EDT 2011 · Astrophysical Journal, Supplement Series

DOI:https://doi.org/10.1088/0067-0049/196/1/10· OSTI ID:21562421

Cazzoli, Gabriele; Puzzarini, Cristina ^[1]; Stopkowicz, Stella; Gauss, Juergen ^[2]

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1. Dipartimento di Chimica 'G. Ciamician', Universita di Bologna, Via Selmi 2, I-40126 Bologna (Italy)
2. Institut fuer Physikalische Chemie, Universitaet Mainz, D-55099 Mainz (Germany)

The rotational spectra of the mono-deuterated isotopologues of trans-formic acid, trans-DCOOH and trans-HCOOD, were investigated. In the millimeter- and submillimeter-wave frequency regions the Lamb-dip technique was exploited to obtain sub-Doppler resolution and to resolve the hyperfine structure due to the deuterium and hydrogen nuclei, thus enabling the accurate determination of the corresponding hyperfine constants. The experimental determination was supported by high-level quantum-chemical calculations at the coupled-cluster level of theory using large atomic-orbital basis sets. The Lamb-dip measurements were also supplemented by THz Doppler-limited measurements in order to extend the predictive capability of the available spectroscopic parameters to higher frequencies.

• OSTI ID: 21562421
• Journal Information: Astrophysical Journal, Supplement Series, Vol. 196, Issue 1; Other Information: DOI: 10.1088/0067-0049/196/1/10; ISSN 0067-0049
• Country of Publication: United States
• Language: English

Related Subjects

79 ASTROPHYSICS
COSMOLOGY AND ASTRONOMY
ASTROPHYSICS
DATA ANALYSIS
DEUTERIUM
FORMIC ACID
HYDROGEN
HYPERFINE STRUCTURE
CARBOXYLIC ACIDS
ELEMENTS
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
MONOCARBOXYLIC ACIDS
NONMETALS
NUCLEI
ODD-ODD NUCLEI
ORGANIC ACIDS
ORGANIC COMPOUNDS
PHYSICS
STABLE ISOTOPES