Measurement and analysis of the ν2 and ν4 infrared bands of CD4

1979 ◽  
Vol 57 (11) ◽  
pp. 1969-1981 ◽  
Author(s):  
W. A. Kreiner ◽  
A. G. Robiette
Keyword(s):  
Standard Deviation ◽  
Infrared Spectrum ◽  
Coriolis Coupling ◽  
Coupling Term ◽  
Molecular Constants ◽  
Measurement And Analysis

The infrared spectrum of CD4 has been recorded between 942 and 1201 cm−1, encompassing the ν2 and ν4 bands. The data have been analysed taking account of the Bζ24 Coriolis coupling term linking the upper states of the two bands. Six hundred seventy-five assigned transitions, reaching a maximum upper state J value of 20 in each band, have been fitted with a standard deviation of 0.013 cm−1 and new values of the molecular constants are reported.

Rotational perturbations and the Zeeman effect in the band of HCF

1984 ◽  
Vol 62 (12) ◽  
pp. 1328-1335 ◽  
Author(s):  
Tetsuo Suzuki ◽  
Shuji Saito ◽  
Eizi Hirota
Keyword(s):  
Laser Excitation ◽  
Zeeman Effect ◽  
Rotational Analysis ◽  
Coriolis Coupling ◽  
Vibronic Band ◽  
Coupling Term ◽  
Molecular Constants ◽  
Coriolis Interaction ◽  
Frequency Shifts ◽  
Vibrational Levels

The dye laser excitation spectrum of the [Formula: see text] vibronic band of HCF was observed between 18 190 and 18 422 cm−1 with Doppler-limited resolution. The observed spectrum exhibits a number of anomalies. The perturbations observed for Ka = 1 levels are well explained by an electronic Coriolis interaction with highly excited vibrational levels of the ground electronic state. Other anomalies are difficult to analyze, because most of them are local without showing any systematic frequency shifts. Some of the perturbed lines are found to have large Zeeman effects; thus the perturbations are ascribed to interactions with the lowest triplet state. The rotational analysis of the observed spectrum leads to the following molecular constants for HCF in the Ã1A(010) state: ν0 = 18 298.6927(71), B + C = 2.26710(34), B − C = 0.074(15), and the electronic Coriolis coupling term [Formula: see text], all in cm−1 with standard errors in parentheses.

Schwingungsberechnungen der isotopen VOCl3-Moleküle, des VOBr3 und der Verbindungen VOCln Br3-n , sowie einige Molekularkonstanten der Titelverbindungen

1974 ◽  
Vol 29 (5) ◽  
pp. 706-711 ◽  
Author(s):  
H. Hovdan ◽  
S. J. Cyvin ◽  
W. Brockner
Keyword(s):  
Potential Energy ◽  
Coupling Constants ◽  
Potential Energy Distribution ◽  
Thermodynamic Quantities ◽  
Coriolis Coupling ◽  
Molecular Constants ◽  
Isotopic Species ◽  
The Mean ◽  
Calculated Potential Energy ◽  
Formula Type

Abstract In order to determine the isotopic splittings of the vibrational frequencies of isotopieally substituted vanadium oxytrichloride and to present the correlation between VOCl3 and VOBr3 a set of force fields was constructed for the isotopic species of VOCl3 , VOCl2Br, VOCIBr2, and VOBr3 . The conventional descriptions of the fundamentals are supported by the calculated potential energy distribution in all cases. Furthermore the calculations of certain molecular constants such as the mean amplitudes, their corresponding K-values, the Coriolis coupling constants of the -type and some thermodynamic quantities have been performed.

Observation of strong Coriolis coupling in the infrared spectrum of Ar-CO

1995 ◽  
Vol 86 (5) ◽  
pp. 1233-1247 ◽  
Author(s):  
S. König ◽  
G. Hilpert ◽  
M. Havenith
Keyword(s):  
Infrared Spectrum ◽  
Coriolis Coupling

High-Resolution Infrared Spectrum of Diazirine, H2CN2. Rovibrational Analysis of the Methylene Deformation Band

1988 ◽  
Vol 43 (4) ◽  
pp. 331-337 ◽  
Author(s):  
A. Gambi ◽  
A. Baldacci ◽  
S. Giorgianni
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Infrared Spectrum ◽  
Least Squares ◽  
Deformation Band ◽  
Fourier Transform Spectrometer ◽  
Centrifugal Distortion ◽  
Molecular Constants ◽  
Centrifugal Distortion Constants

Abstract The infrared spectrum of diazirine has been recorded at Doppler resolution with a high informa­tion Fourier transform spectrometer. The ν3 fundamental has been reinvestigated and the overall assignment of the rovibrational transitions has been carried out. From the least-squares analysis a more accurate set of molecular constants including the sextic centrifugal distortion constants has been determined for the level υ3 = 1 and will be reported here. The higher resolution achieved here allowed the assignment of weaker lines and many Q branch transitions. Moreover many blended lines have now been resolved and could be properly assigned.

The infrared spectrum and molecular structure of sulphur trioxide

1970 ◽  
Vol 314 (1518) ◽  
pp. 329-339 ◽  
Keyword(s):  
Molecular Structure ◽  
Fine Structure ◽  
Electron Diffraction ◽  
Infrared Spectrum ◽  
Molecular Vibration ◽  
Electron Diffraction Data ◽  
Vibration Frequencies ◽  
Coriolis Coupling ◽  
Coupling Coefficients ◽  
Sulphur Trioxide

The rotational fine structure of several parallel and perpendicular type bands of sulphur trioxide, an oblate symmetric top, has been partially resolved and analysed. A more convincing assignment of the molecular vibration frequencies has been made than that based upon earlier measurements of the infrared and Ram an spectra. Rotational constants and Coriolis coupling coefficients have been derived, and a more accurate value of the S ═ O bond length has been obtained (1.41 ± 0.01 Å) than that previously assumed on the basis of electron diffraction data. Some vibrational-rotational interactions which affect the appearance of certain bands have been explained.

Vibration-rotation bands of trideuteromethyl iodide

1965 ◽  
Vol 288 (1412) ◽  
pp. 39-49 ◽  
Keyword(s):  
Fine Structure ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Molecular Constants ◽  
Rotational Constants ◽  
Vibrational Levels ◽  
Theoretical Predictions ◽  
Vibration Rotation ◽  
Combination Bands

The rotational fine structure of six parallel and nine perpendicular vibration bands of tri­deuteromethyl iodide has been analysed, and molecular constants have been derived. These include the band origins, the rotational constants in different vibrational levels, the α A i and α B i values, and the Coriolis coupling constants ς i for the fundamental degenerate vibrations. The ς values for overtone and combination bands have been compared with values calculated from the ς i values of the fundamentals, and agree closely with previous theoretical predictions.

Infrared spectrum and molecular constants of CT4

1958 ◽  
Vol 2 (1-6) ◽  
pp. 103-112 ◽  
Author(s):  
Llewellyn H. Jones ◽  
Maxwell Goldblatt
Keyword(s):  
Infrared Spectrum ◽  
Molecular Constants

On the Applicability of Redington's Method of Determination of Force Field to Bent XYZ Type Systems

1979 ◽  
Vol 34 (6) ◽  
pp. 716-720 ◽  
Author(s):  
R. Namasivayam ◽  
S. Mayilavelan
Keyword(s):  
Type Systems ◽  
Coupling Constants ◽  
Coriolis Coupling ◽  
Centrifugal Distortion ◽  
Molecular Constants ◽  
Mean Amplitudes Of Vibration ◽  
Method Of Determination ◽  
Point Solution ◽  
Centrifugal Distortion Constants

Abstract Force fields of NSF, NSCl, NSBr, SSO, HCO, HOF, HOCl, HOBr and HOI have been computed using Redington’s method. The angle parameters φ12, φ13 and φ23 are fixed through Fsteep critical point solution. The parametrised eigenvector matrices obtained are found to possess the properties predicted by Peacock et al. Mean amplitudes of vibration, Coriolis coupling constants, inertia defects and centrifugal distortion constants have also been calculated and compared with literature values. Redington’s approach is found to reproduce all the molecular constants with accuracies comparable with conventional methods.

The Infrared Spectrum and Molecular Constants of C14O2

1954 ◽  
Vol 22 (1) ◽  
pp. 36-39 ◽  
Author(s):  
Alvin H. Nielsen ◽  
Robert T. Lagemann
Keyword(s):  
Infrared Spectrum ◽  
Molecular Constants
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