The rotational spectrum and molecular structure of the furan-HCI complex

J. A. Shea, Stephen G Kukolich

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

The microwave spectrum of the furan-HCl complex in the ground vibrational state has been measured and assigned using a Fourier-transform microwave spectrometer employing a Fabry-Perot cavity and a pulsed supersonic nozzle as a molecular source. Furan-HCl is planar, with the axis of the HCl subunit oriented along the a axis of furan, bisecting the oxygen-carbon angle. A hydrogen bond is formed between the HCl proton and the lone electron pair of oxygen. The spectroscopic constants for furan-H35Cl in MHz are A″=9421.3(39), B″=1004.2001(27), C″=904.5526(26), τT 1=-0.9392(12), τ2=-0.0751(2), τbbbb=-0. 004 01(19), τcccc=-0.002 17(17), χaa=-52.803(17), χbb=25.626(54), and χcc=27.177(54). Rotational transitions for the isotopic species furan-H 37Cl and furan-D 35Cl were also measured and assigned. The oxygen-chlorine distance is 3.26(1) Å. The binding of the HCl to oxygen, rather than to the π bonds between the âcarbon atoms, was confirmed by measurements on the 2-D furan-H 35Cl complex.

Original languageEnglish (US)
Pages (from-to)3545-3551
Number of pages7
JournalThe Journal of Chemical Physics
Volume78
Issue number6
StatePublished - 1983

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furans
rotational spectra
Human computer interaction
Molecular structure
molecular structure
Oxygen
oxygen
Microwave spectrometers
Carbon
supersonic nozzles
microwave spectrometers
carbon
Chlorine
microwave spectra
furan
vibrational states
chlorine
Protons
Nozzles
Fourier transforms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The rotational spectrum and molecular structure of the furan-HCI complex. / Shea, J. A.; Kukolich, Stephen G.

In: The Journal of Chemical Physics, Vol. 78, No. 6, 1983, p. 3545-3551.

Research output: Contribution to journalArticle

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abstract = "The microwave spectrum of the furan-HCl complex in the ground vibrational state has been measured and assigned using a Fourier-transform microwave spectrometer employing a Fabry-Perot cavity and a pulsed supersonic nozzle as a molecular source. Furan-HCl is planar, with the axis of the HCl subunit oriented along the a axis of furan, bisecting the oxygen-carbon angle. A hydrogen bond is formed between the HCl proton and the lone electron pair of oxygen. The spectroscopic constants for furan-H35Cl in MHz are A″=9421.3(39), B″=1004.2001(27), C″=904.5526(26), τT 1=-0.9392(12), τ2=-0.0751(2), τbbbb=-0. 004 01(19), τcccc=-0.002 17(17), χaa=-52.803(17), χbb=25.626(54), and χcc=27.177(54). Rotational transitions for the isotopic species furan-H 37Cl and furan-D 35Cl were also measured and assigned. The oxygen-chlorine distance is 3.26(1) {\AA}. The binding of the HCl to oxygen, rather than to the π bonds between the {\^a}carbon atoms, was confirmed by measurements on the 2-D furan-H 35Cl complex.",
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