The Experts below are selected from a list of 36 Experts worldwide ranked by ideXlab platform

Harald Møllendal - One of the best experts on this subject based on the ideXlab platform.

  • Microwave Spectrum and conformational composition of 1-vinylimidazole.
    The journal of physical chemistry. A, 2011
    Co-Authors: Svein Samdal, Harald Møllendal
    Abstract:

    The Microwave Spectrum of 1-vinylimidazole has been investigated in the 21−80 GHz spectral region. The spectra of two conformers have been assigned. One of these forms is planar, while the other is...

  • Microwave Spectrum and conformation of n-propyltrifluorosilane
    Journal of Molecular Structure, 2005
    Co-Authors: Anne Horn, Harald Møllendal, Gamil A. Guirgis
    Abstract:

    Abstract The conformational properties of gaseous n -propyltrifluorosilane (CH 3 CH 2 CH 2 SiF 3 ) have been investigated by Microwave spectroscopy and high-level quantum chemical calculations. The Microwave Spectrum was investigated in the 20–62 GHz spectral range at a temperature of −78 °C. The spectra of the ground vibrational state and three vibrationally excited states of one conformer having an antiperiplanar conformation of the C–C–C–Si chain of atoms were assigned. No evidence for the existence of the synclinal ( gauche ) conformer was seen in the Microwave Spectrum. It is concluded that the synclinal form is at least 3.5 kJ/mol less stable than the antiperiplanar conformer in the gas phase. Density functional theory calculations have been performed for the system mainly to predict the effects of centrifugal distortion. The G3 quantum chemical method has been used to test the ability of this method to predict the energy difference between the synclinal and antiperiplanar conformers.

Anthony Remijan - One of the best experts on this subject based on the ideXlab platform.

  • Microwave Spectrum of 1,2-propanediol
    Journal of Molecular Spectroscopy, 2009
    Co-Authors: Francis J. Lovas, David F. Plusquellic, Brooks H. Pate, Justin L. Neill, Matt T. Muckle, Anthony Remijan
    Abstract:

    Abstract The Microwave Spectrum of the sugar alcohol 1,2-propanediol (CH3CHOHCH2OH) has been measured over the frequency range 6.5–25.0 GHz with several pulsed-beam Fourier-transform Microwave spectrometers. Seven conformers of 1,2-propanediol have been assigned and ab initio electronic structure calculations of the 10 lowest energy forms have been calculated. Stark effect measurements were carried out on several of the lowest energy conformers to provide accurate determinations of the dipole moment components and assist in conformer assignment.

Jose L Alonso - One of the best experts on this subject based on the ideXlab platform.

  • The Microwave Spectrum of the Bimolecule Trifluoroacetic Acid · · · Cyclopropanecarboxylic Acid
    Zeitschrift für Naturforschung A, 1997
    Co-Authors: Sonja Antolínez, V. Storm, D. H. Sutter, Helmut Dreizler, Jose L Alonso
    Abstract:

    AbstractWe have investigated the Microwave Spectrum of the bimolecule trifluoroacetic acid • • • cyclo-propanecarboxylic acid in the region 1 to 4 GHz, where the low J transitions of this heavy complex appear. The measured μ

  • The Microwave Spectrum and equilibrium conformation of phthalan
    Molecular Physics, 1994
    Co-Authors: L. A. Leal, Jose L Alonso, David G. Lister, J. C. Lopez
    Abstract:

    The Microwave Spectrum of phthalan has been observed in the frequency range of 18–70 GHz. The spectra of the ground and ten excited vibrational states have been assigned and rotational and quartic centrifugal distortion constants have been obtained from semirigid rotor fits to the observed line frequencies. The Microwave Spectrum is not consistent with either the C2v equilibrium conformation deduced from the far infrared Spectrum or the C2 equilibrium conformation obtained from the single vibronic level fluorescence spectra. The Microwave data indicates that the bending of the five membered ring is a very anharmonic vibration with a double minimum potential function with a low barrier and that phthalan therefore has a Cs equilibrium conformation. The previous spectroscopic data can be reinterpreted in a manner consistent with this and gives a barrier height of 38 cm-1. The twisting of the five membered ring is a reasonably harmonic vibration and its fundamental wave-number is ∼ 180 cm-1. The Microwave dat...

Svein Samdal - One of the best experts on this subject based on the ideXlab platform.

L. Dore - One of the best experts on this subject based on the ideXlab platform.

  • Microwave Spectrum of 3-methoxythietane
    Journal of Molecular Spectroscopy, 1991
    Co-Authors: W. Caminati, D. Damiani, L. Dore
    Abstract:

    Abstract The Microwave Spectrum of 3-methoxythietane has been investigated in the frequency range 28–40 GHz. The rotational Spectrum of one conformer has been assigned. The oxygen atom is in the equatorial position and the methyl group is gauche with respect to the ring hydrogen in position 3. From the analysis of several vibrational satellites, information has been obtained on the large amplitude motions. The dipole moment has been measured.