Journal ArticleDOI
Microwave spectrum of methylene fluoride centrifugal distortion and molecular structure
TLDR
In this paper, the microwave spectra of CH2F2 was investigated in detail to determine the centrifugal distortion constants: τaaaa = −2.3049 ± 0.0041, τbbbb = −0.06064 ± 0.00091, τcccccc = − 0.02653 ± 0.,00071, T1 = 0.036 ± 0,016, and T2 = −1.0327 ± 0..016.About:
This article is published in Journal of Molecular Spectroscopy.The article was published on 1970-05-01. It has received 60 citations till now. The article focuses on the topics: Distortion.read more
Citations
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CH stretching frequencies, bond lengths and dissociation energies
D.C. McKean,J.L. Duncan,L. Batt +2 more
TL;DR: In this paper, the relationship between CH bond stretching frequencies, bond lengths and dissociation energies, previously studied by Bernstein, is reexamined with fresh data of all kinds.
Journal ArticleDOI
CH bond length variations due to the intramolecular environment: a comparison of the results obtained by the method of isolated CH stretching frequencies and by ab initio gradient calculations
TL;DR: In this paper, two approaches, one experimental and the other theoretical, to the elucidation of CH bond length variation due to the intramolecular environment are compared, one based on the concept of isolated CH stretching frequencies while the other involves the ab initio gradient procedure.
Journal ArticleDOI
Microwave Spectrum of Hydroxylamine
TL;DR: In this paper, the microwave spectra of hydroxylamine and its deuterated species: NH 2 OH, NH 2 OD, NHDH, ND 2 OOD, ND OOD and ND 2 OD have been analyzed and their rotational constants have been determined.
Journal ArticleDOI
Automatic generation of potential energy and property surfaces of polyatomic molecules in normal coordinates.
TL;DR: A procedure for the automatic construction of Born-Oppenheimer potential energy and molecular property surfaces in rectilinear normal coordinates is presented and its suitability and accuracy when combined with vibrational structure calculations are assessed.
Journal ArticleDOI
Vibration-rotation spectra and molecular force field of methylene fluoride and methylene fluoride-d2
Isao Suzuki,Takehiko Shimanouchi +1 more
TL;DR: In this article, the authors measured the infrared spectra of CH 2 F 2 and CD 2F 2 under a medium resolution, and the assignment of the vibration-rotation bands of CD 2 F2 fundamentals has been given.
References
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Journal ArticleDOI
Determination of Centrifugal Distortion Coefficients of Asymmetric‐Top Molecules
TL;DR: In this article, the rotational Hamiltonian of an asymmetric-top molecule in a given vibrational state, obtained by the usual vibrational perturbation treatment, is transformed by means of a unitary transformation to a reduced Hamiltonian which is suitable for fitting to observed energies.
Journal ArticleDOI
Approximate Treatment of the Effect of Centrifugal Distortion on the Rotational Energy Levels of Asymmetric‐Rotor Molecules
Daniel Kivelson,E. Bright Wilson +1 more
TL;DR: In this paper, the rotational energy of a nonrigid asymmetric rotor was derived for the first order treatment of a first-order treatment and the relation W = W0+A1W02+A2W0J(J+1)+A3J2(J + 1)2+A4J(j+1)
Journal ArticleDOI
Determination of Centrifugal Distortion Coefficients of Asymmetric‐Top Molecules. III. Sextic Coefficients
TL;DR: The rotational Hamiltonian of an asymmetric top molecule, containing terms up to sixth degree in the components of the total angular momentum, is transformed by a unitary transformation to a reduced Hamiltonian, so as to avoid the indeterminacies inherent in fitting the complete Hamiltonian to observed energy levels as discussed by the authors.
Journal ArticleDOI
Influence of vibrations on molecular structure determinations iii. inertial defects
TL;DR: In this paper, the relationship between various types of moments of inertia and vibration is developed from general theory, with emphasis on the qualitative physical features and the quantities which may be calculated without knowledge of anharmonic force constants.
Related Papers (5)
Vibration-rotation spectra and molecular force field of methylene fluoride and methylene fluoride-d2
Isao Suzuki,Takehiko Shimanouchi +1 more