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

J. A. Shea, S. G. Kukolich

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42 Scopus citations

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
DOIs
StatePublished - Jan 1 1983

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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