Vibration–rotation interaction constants and the cubic potential function of the NO2 molecule in the small-amplitude approximation

1984 ◽  
Vol 62 (12) ◽  
pp. 1315-1322 ◽  
Author(s):  
Yonezo Morino ◽  
Mitsutoshi Tanimoto
Keyword(s):  
Potential Function ◽  
Small Amplitude ◽  
Microwave Measurement ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Triatomic Molecules ◽  
Standard Deviations ◽  
Vibration Rotation ◽  
Centrifugal Distortion Constants ◽  
Infrared Data

Vibration–rotation interaction constants and cubic potential constants were calculated in the small-amplitude approximation. The standard deviations of the rotational constants previously obtained by the microwave measurement were critically examined and found to depend strongly on the centrifugal distortion constants of the infrared data. Although the Coriolis interactions were all neglected, the α and γ constants thus obtained, together with the cubic potential constants, indicate no abnormal feature, in comparison with those of the ordinary triatomic molecules already studied.

Millimetre wave spectrum of methyl mercaptan

1980 ◽  
Vol 58 (11) ◽  
pp. 1640-1648 ◽  
Author(s):  
R. M. Lees ◽  
M. Ali Mohammadi
Keyword(s):  
Interstellar Medium ◽  
Least Squares ◽  
Wave Spectrum ◽  
Methyl Mercaptan ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Millimetre Wave ◽  
Torsion Vibration ◽  
Vibration Rotation ◽  
Centrifugal Distortion Constants

An investigation of the rotational spectrum of CH332SH, one of the most recent molecules to be detected in the interstellar medium, has been carried out over the 25–107 GHz region. The frequencies of a-type Δk = 0 R-branch transitions have been measured for the J = 1 ← 0 up to J = 4 ← 3 multiplets for torsional states νt = 0–3. In addition, many P-, Q-, and R-branch transitions with Δk ≠ 0 have been identified in order to provide a catalogue of lines for potential radio astronomical applications. Improved values of rotational and centrifugal distortion constants, a-type torsion–vibration–rotation interaction constants, and torsional barrier parameters (V3 = 444.76 cm−1; effective V6 = −2.07 cm−1) have been determined from least-squares analyses of the spectra.

The Microwave Spectrum and Dipole Moment of Hexafluoropropanone

1991 ◽  
Vol 46 (3) ◽  
pp. 229-232 ◽  
Author(s):  
J.-U. Grabow ◽  
N. Heineking ◽  
W. Stahl
Keyword(s):  
Fourier Transform ◽  
Dipole Moment ◽  
Molecular Beam ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Fourier Transform Spectrometer ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Centrifugal Distortion Constants

AbstractWe recorded the microwave spectrum of hexafluoropropanone between 7 and 15 GHz using a pulsed molecular beam microwave Fourier transform spectrometer. The rotational constants were determined to be A = 2181.71980(14) MHz, B= 1037.22930(7) MHz, C = 934.89233(8) MHz, the quartic centrifugal distortion constants are D'J= 0.07378 (39) kHz, D'JK = 0.10002(75) kHz, D'K = -0.07269(266) kHz, δ'J = 0.00623(29) kHz and R' 6= 0.00755(12) kHz. Stark effect measurements yielded a dipole moment μ = μb= 0.3949 (18) D

The Centrifugally Induced Pure Rotational Spectrum and the Structure of Sulfur Trioxide. A Microwave Fourier Transform Study of a Nonpolar Molecule

1991 ◽  
Vol 46 (8) ◽  
pp. 710-714 ◽  
Author(s):  
Volker Meyer ◽  
Dieter Hermann Sutter ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Sulfur Trioxide ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Nonpolar Molecule ◽  
Centrifugal Distortion Constants ◽  
First Time

AbstractThe pure rotational spectrum of sulfur trioxide has been observed for the first time. A total of 25 high-J transitions could be assigned. The rotational constants, two quartic centrifugal distortion constants, and three sextic centrifugal distortion constants were determined as: B= 10 449.0667(23) MHz, C = 5216.0330(12) MHz, DJ = 9.2651 (18) kHz, DJK = -16.3922(18) kHz, HJ, = -8.8(34) • 10-3 Hz, HJK= -15.8(73) • 10-3 Hz, and HKJ = 34.2(73) • 10-3 Hz. An r0- and an re -structure are presented: r0= 1.4198(7) Å (calculated from B), r0 = 1.4210(7) Å (calculated from C), and re = 1.4175 Å

Mikrowellenspektrum von 12C34SF37Cl

1976 ◽  
Vol 31 (6) ◽  
pp. 594-601 ◽  
Author(s):  
R. Hamm ◽  
H. J. Kohrmann ◽  
H. Günther ◽  
W. Zeil
Keyword(s):  
Equilibrium Structure ◽  
Microwave Spectrum ◽  
Natural Abundance ◽  
Least Square ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Isotopic Species ◽  
Planar Molecule ◽  
Least Square Fit ◽  
Centrifugal Distortion Constants

The microwave spectrum of the isotopic species 12C34SF37Cl has been measured in natural abundance. The three rotational constants and five quartic centrifugal distortion constants have been determined by a least square fit. In comparison with our former calculations, the five structural r0-parameters of the planar molecule have now been determined from eight rotational constants instead of six, thus yielding remarkably smaller confidence intervalls. Furthermore an re-structure has been calculated and an equilibrium-structure has been estimated

Microwave and Millimeterwave Spectrum of Monofluoracetonitrile-15N (CH2FC15N). A Contribution to Molecular Structure

1987 ◽  
Vol 42 (11) ◽  
pp. 1275-1278
Author(s):  
H. Zerbe ◽  
A. Guarnieri
Keyword(s):  
Molecular Structure ◽  
Vibrational State ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Centrifugal Distortion Constants

The microwave and millimeterwave spectrum of 15N-fluoracetonitrile(CH2FC15N) in the ground vibrational state are investigated in the region between 8 and 150 GHz. The measured transitions are fitted to a Hamiltonian with three rotational constants, five quartic and seven sextic centrifugal distortion constants in the symmetric top limit of van Eijck-Typke and in the s-reduction of Watson. The rotational constants are used to improve the calculated r0 -restructure of the fluoracetonitrile molecule.

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. V.t The identification and determination of the geometry and electric dipole moment of the hydrogen bonded heterodimer formed between oxirane and hydrogen fluoride, (CH 2 ) 2 O • • • HF, by infrared and microwave spectroscopy

1981 ◽  
Vol 373 (1755) ◽  
pp. 511-526 ◽  
Keyword(s):  
Hydrogen Fluoride ◽  
Point Group ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Hydrogen Bonding Interactions ◽  
Pyramidal Configuration ◽  
Centrifugal Distortion Constants ◽  
Hydrogen Bonded

The hydrogen bonded heterodimer formed between oxirane and hydrogen fluoride has been identified through its infrared and microwave spectra. Rotational constants/MHz and centrifugal distortion constants/kHz for the following isotopic varieties have been derived from an analysis of the rotational spectra in the vibrational ground state: A B A (CH 2 ) 2 160* • -HF 16099 3638.75 3462.31 15.3 25.8 (CH2)2160- • *DF 15984 3605.66 3434.85 14.1 20.9 For the species (CH2)2180 • • • HF only the rotational constants 7059.7 MHz and B — C = 135 MHz could be obtained. It is established from arguments based on Pband A that the dimer has a pyramidal configuration at the oxygen atom and that the molecular point group is (7g. If the justifiable assumption is made that the monomer geometries are unchanged on dimer formation, then the observed rotational constants for (CH 2 )2160* • -H F leadtor0(O* • *F) = 2.627 A ja n d ^ = 71.8°, where ^ is the angle between the plane of the three-membered ring and the H—F direction. Replacement of H by D in the hydrogen bond does not significantly change these values.

Mikrowellenspektrum, Rotationskonstanten, Kernquadrupolkopplungskonstanten und r0-Struktur von Äthylchlorsilan / Microwave Spectrum, Rotational Constants, Nuclear Quadrupol Coupling Constants and ro structure of Ethylchlorosilane

1974 ◽  
Vol 29 (7) ◽  
pp. 1081-1096 ◽  
Author(s):  
V. Typke ◽  
M. Dakkouri ◽  
W. Zeil
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Trans Form ◽  
Rotational Constants ◽  
Bond Angles ◽  
Centrifugal Distortion Constants

The MW-spectra of trans- and gauche-rotamers of 5 isotopes of ethylchlorosilane have been measured and partially analyzed. From the analysis rotational constants, centrifugal distortion constants and nuclear quadrupol coupling constants have been obtained. The determination of the restructure from 30 rotational constants leads to different bond angles C -C -Si for the two conformers. The optimalization of the quadrupol coupling constants in the bond axis system on the basis of the r0-structure using all information on the 35Cl-species yields the following values: ZZZ = (-35.5±0.8) MHz, η = - 0.25±0.11 for the trans-form and ZZZ= (-36.3±2.7) MHz, η = -0.08±0.10 for the gauche-form.

scholarly journals Determination of stretching force constants of weakly bound dimers from centrifugal distortion constants

1985 ◽  
Vol 63 (7) ◽  
pp. 1477-1479 ◽  
Author(s):  
D. J. Millen
Keyword(s):  
Force Constants ◽  
Centrifugal Distortion ◽  
Weakly Bound ◽  
Rotational Constants ◽  
Weak Bond ◽  
Centrifugal Distortion Constants

Expressions are derived from which stretching force constants for the weak bond in weakly bound dimers may be evaluated directly from observed rotational constants and centrifugal stretching distortion constants.

Mikrowellenspektrum und rotationsspektroskopische Konstanten der Methylchlorsilane: CH3SiH2Cl, CH3SiD2Cl und CD3SiD2Cl / Microwave Spectrum and Rotational Spectroscopic Constants of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2Cl and CD3SiD2Cl

1975 ◽  
Vol 30 (11) ◽  
pp. 1441-1446
Author(s):  
W. Zeil ◽  
W. Braun ◽  
B. Haas ◽  
H. Knehr ◽  
F. Rückert ◽  
...  
Keyword(s):  
Microwave Spectrum ◽  
Coupling Constants ◽  
Spectroscopic Constants ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole ◽  
Centrifugal Distortion Constants

The microwave spectra of the following isotopic species of Methyl-chloro-silane: CH3SiH2Cl, CH3SiD2 and CD3SiD2Cl have been measured and the rotational spectroscopic constants (rotational constants, centrifugal distortion constants and nuclear quadrupole coupling constants) have been determined

Microwave Spectrum of Methane-d2, CH2D2

1975 ◽  
Vol 53 (19) ◽  
pp. 2023-2028 ◽  
Author(s):  
Eizi Hirota ◽  
Misako Imachi
Keyword(s):  
Dipole Moment ◽  
Microwave Spectrum ◽  
Normal Coordinate Analysis ◽  
Centrifugal Distortion ◽  
Normal Coordinate ◽  
Rotational Constants ◽  
Microwave Spectrometer ◽  
Rotational Transitions ◽  
Centrifugal Distortion Constants

Three rotational transitions of methane-d2 were observed by a source-modulation microwave spectrometer. The two differences in the rotational constants, A – C and B – C, were determined to be 37 555.758 and 13 664.280 MHz, respectively, from the observed frequencies of 110 ← 101 and 211 ← 202 after correcting for the centrifugal distortion effects. The centrifugal distortion constants were evaluated by a normal coordinate analysis. The dipole moment of CH2D2 was determined to be 0.014 ± 0.005 D, by comparing the intensity of 211 ← 202 with that of an oxygen line.

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