Journal ArticleDOI
Precision measurement of dipole moments and other spectral constants of normal and deuterated methyl fluoride and methyl cyanide
P. Alston Steiner,Walter Gordy +1 more
TLDR
In this article, the molecular dipole moments of normal and deuterated methyl fluoride and methyl cyanide have been obtained as follows: for CH3F, μ = 1.8572 ± 0.0010 D; for CD3CN, MC = 3.913 ± 0.002 D; MC = 4.64 ± 0., DJK = 110.2± 0.004About:
This article is published in Journal of Molecular Spectroscopy.The article was published on 1966-01-01. It has received 122 citations till now.read more
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Electric Dipole Moment of Carbonyl Sulfide
TL;DR: In this paper, the electric dipole moment of OCS has been determined by measuring pure Stark transitions with molecular-beam electric resonance methods and the value obtained is 0.71521 ± 0.00020 D.
Journal ArticleDOI
Quantum theory and molecular structure
TL;DR: In this article, it is argued that a definite molecular structure can only be associated with quantum states that are intrinsically time-dependent and therefore need not manifest the full symmetry implied by the relativity principle; conversely if a molecule is definitely observed in an eigenstate of its associated molecular Schrodinger equation, a molecular structure description is inappropriate.
Journal ArticleDOI
Progress in nitrile-based polymer electrolytes for high performance lithium batteries
TL;DR: In this article, a review of recent progress in nitrile-based polymer electrolytes has been reviewed in terms of their potential application in flexible, solid-state or high voltage lithium batteries.
Journal ArticleDOI
Monte Carlo simulations of liquid acetonitrile with a three-site model
TL;DR: In this article, a simple intermolecular potential function has been devised to yield good thermodynamic and structural results for liquid acetonitrile The function was tested in Monte Carlo statistical mechanics simulations for the liquid at temperatures of 25°C and 70°C at 1 atm.
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An effective pair potential for liquid acetonitrile
TL;DR: In this paper, a six site potential model for liquid acetonitrile was developed based on atomic interaction parameters taken from studies of other liquids and partial charges derived by ab initio calculations, which yields results in good agreement with experimental data on the thermodynamics, structure, self diffusion coefficients and reorientational correlation times of the liquid.
References
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Journal ArticleDOI
Microwave Spectra and Molecular Structures of Methyl Cyanide and Methyl Isocyanide
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Electric Dipole Moments of Several Molecules from the Stark Effect
TL;DR: The following molecular electric dipole moments, in Debye units, have been obtained from the Stark effect of pure rotational spectra observed in the microwave region: 0.234±0.004 for NF3, 1.03±0,0.01 for PF3; 1.77± 0.06 for CH3CN; 3.83± 0.,3.00±0.,0.02 for HCN, 3.92± 0,2.
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Structure of the Isobutane Molecule; Change of Dipole Moment on Isotopic Substitution
TL;DR: The microwave spectra of 5 isotopic species of isobutane have been measured and analyzed in this article, and the structure is compared with that of other hydrocarbons, and it is suggested that a small systematic difference exists between microwave and electron diffraction methods.
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Millimeter Wave Spectra and Centrifugal Stretching Constants of the Methyl Halides
TL;DR: In this article, the high J transitions of the methyl halides have been measured and have been used to calculate accurate values for the centrifugal distortion constants, and the values obtained for BO, DJJ, and DJK are (in Mc/sec and kc/sec, respectively).