Issue 18, 2005

Structure, dipole moment and large amplitude motions of 1-benzofuran

Abstract

The rotational spectrum of 1-benzofuran has been investigated by three different rotational spectroscopy techniques: (i) millimeterwave absorption free jet spectroscopy, useful for a fast assignment of the spectrum; (ii) molecular beam Fourier transform microwave spectroscopy, sensitive to detect less abundant isotopic species in natural abundance; (iii) waveguide conventional microwave spectroscopy, useful for the study of intramolecular dynamics, through the rotational spectra of the vibrational satellites of low energy modes. Besides the rotational spectrum of the ground state of the normal species, the spectra of 9 singly substituted 13C and 18O isotopomers in natural abundance, and of 6 vibrational satellites, have been measured. Precise structural parameters for the molecule, as well as information on the potential energy surface of the low energy vibrations, have been obtained. The dipole moment components have been determined to be μa = 0.216 (2) and μb = 0.720 (3) D, respectively.

Graphical abstract: Structure, dipole moment and large amplitude motions of 1-benzofuran

Supplementary files

Article information

Article type
Paper
Submitted
02 Jun 2005
Accepted
22 Jul 2005
First published
12 Aug 2005

Phys. Chem. Chem. Phys., 2005,7, 3317-3322

Structure, dipole moment and large amplitude motions of 1-benzofuran

A. Maris, B. Michela Giuliano, S. Melandri, P. Ottaviani, W. Caminati, L. B. Favero and B. Velino, Phys. Chem. Chem. Phys., 2005, 7, 3317 DOI: 10.1039/B507795H

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