Rotational spectroscopy of cf2clccl3 and analysis of hyperfine structure from four quadrupolar nuclei

Kisiel, Zbigniew

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https://hdl.handle.net/2142/91163 Copy

Description

Title

Rotational spectroscopy of cf2clccl3 and analysis of hyperfine structure from four quadrupolar nuclei

Author(s)

Kisiel, Zbigniew

Contributor(s)

• Cocinero, Emilio J.
• Basterretxea, Francisco J.
• Uriarte, Iciar
• Białkowska-Jaworska, Ewa

Issue Date

2016-06-22

Keyword(s)

(Hyper)fine structure, tunneling

Abstract

CF$_2$ClCCl$_3$ has recently been identified among several new ozone- depleting substances in the atmosphere.\footnote{J.C.Laube, M.J.Newland, C.Hogan, et al., {\it Nature Geoscience} {\bf 7}, 266 (2014).} There are no literature reports concerning rotational spectroscopy of this molecule, although we were recently able to report its first chirped pulse, supersonic expansion spectrum.\footnote{Z.Kisiel, E.Bia\l kowska-Jaworska, L.Pszcz\'o\l kowski, I.Uriarte, P.Ejica, F.J.Basterretxea, E.J.Cocinero, 70$^{th}$ ISMS, Champaign-Urbana, Illinois, RF-11 (2015).} CF$_2$ClCCl$_3$ has a rather small dipole moment so that the spectrum is weak and each transition displays very complex nuclear quadrupole hyperfine structure resulting from the presence of four chlorine nuclei. \vspace{0.2cm} We have presently been able to carry out a complete analysis of the hyperfine structure by combining the information from chirped pulse spectra with dedicated higher resolution measurements made with a cavity supersonic expansion instrument. The hyperfine analysis was carried out with Pickett's SPFIT/SPCAT package and the sizes of Hamiltonian matrices are sufficiently large to require the use of 64-bit compilation of these programs (made available for both Windows and Linux systems on the PROSPE website). The resulting fit is to within experimental accuracy and is supported by $ab~initio$ calculations. The precise values of off-diagonal hyperfine constants for all nuclei lead to useful angular information that is complementary to direct structural information from moments of inertia.\footnote{Z.Kisiel, E.Bia\l kowska-Jaworska, L.Pszcz\'o\l kowski, {\it J.Chem.Phys.} {\bf 109}, 10263 (1998).}

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

En

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http://hdl.handle.net/2142/91163

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Copyright 2016 by the authors

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