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Investigation of the Rotational Spectrum of Pyrimidine from 3 to 337 GHz: Molecular Structure, Nuclear Quadrupole Coupling, and Vibrational Satellites.
A comprehensive reinvestigation of the rotational spectrum of pyrimidine was carried out by using several different spectrometers, and complete rs and r0 heavy atom geometries have been determined. Expand
Free-Jet Rotational Spectrum and ab Initio Calculations of Formanilide.
Formanilide has been investigated by free-jet millimeter-wave absorption spectroscopy. The rotational spectrum of the conformer with the formyl hydrogen anti to the phenyl group has been assigned.Expand
Free Jet Absorption Millimeter Wave Spectrum of Pyrrolidine: Assignment of a Second, Equatorial, the Most Stable Conformer.
The equatorial conformer of pyrrolidine has been discovered while investigating the rotational free jet spectrum of the pyrrollidine-water adduct, and its low J µc-type transitions, very weak in the room temperature spectrum, are the strongest lines in the jet. Expand
Rotational Spectrum of CD2I2
The rotational spectrum of CD2I2 was measured and analyzed by combining results from two different millimeter wave spectrometers, and the analysis of the observed hyperfine structure yielded all components in the inertial and in the principal nuclear quadrupole coupling tensors for the iodine nuclei. Expand
Millimeter-Wave Absorption Free Jet Spectrum, Barriers to Internal Rotation, and Torsional Relaxation in p-Anisaldehyde
Applying a two-dimensional flexible model to the methoxyl and aldehydic groups torsions, the potential energy and structural deformation parameters transferred from anisole and benzaldehyde have been found to be suitable to describe these motions in p-anisaldehyde. Expand
Microwave and Infrared Spectra, ab Initio Calculation, and Two-Dimensional Model of Amino Group Inversion and Ring Puckering in 2,5-Dihydropyrrole
The adjustment of the model to the experimental data has yielded an equatorial equilibrium conformation with slightly larger CCC valence angle than in the most stable axial conformation. Expand
The C-F small middle dot small middle dot small middle dotH-C "Anti-Hydrogen Bond" in the Gas Phase: Microwave Structure of the Difluoromethane Dimer.
The most stable conformer has three such interactions (shown schematically) - the C-H bond lengths, stretching frequencies and blue shift indicate that anti-hydrogen bonds are present the difluoromethane dimer. Expand
Large Amplitude Motions in 2,3-Cyclopentenopyridine
  • Fantoni, Caminati
  • Physics, Medicine
  • Journal of molecular spectroscopy
  • 1 November 1997
Large amplitude motions in 2,3-cyclopentenopyridine have been investigated by microwave spectroscopy and ab initio calculations and the potential energy functions have been obtained by applying a flexible model to the experimental data. Expand
Conformational equilibrium and potential energy surface of 1-fluorobutane by microwave spectroscopy and Ab initio calculations
The rotational spectra of four (GT, TT, TG, and GG) of the five possible conformers of 1-fluorobutane have been assigned by combining free jet and conventional microwave spectroscopy, and it was not possible to detect the unobserved GG' conformer. Expand
Millimeter-Wave Free Jet Absorption Spectrum of SD Methylthioglycolate: Description of the SH Torsion Double Minimum Potential
The free jet absorption millimeter-wave spectrum of methylthioglycolate-SD has been investigated in the 60-78 GHz frequency range. The double-minimum potential associated with the SD group torsionExpand