Millimeter Wave Spectrum and Centrifugal Distortion Constants of NF3

1967 ◽  
Vol 47 (3) ◽  
pp. 1197-1198 ◽  
Author(s):  
A. M. Mirri ◽  
G. Cazzoli
Keyword(s):  
Millimeter Wave ◽  
Wave Spectrum ◽  
Centrifugal Distortion ◽  
Centrifugal Distortion Constants

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.

scholarly journals Millimeter Wave Spectrum and Centrifugal Distortion Analysis of Difluorochloromethane CHF2Cl in the Ground State

1990 ◽  
Vol 45 (9-10) ◽  
pp. 1165-1168 ◽  
Author(s):  
R. Spiehl ◽  
A. Guarnieri
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Wave Spectrum ◽  
Sixth Order ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Vibrational Ground State ◽  
Distortion Analysis

Abstract The rotational spectra of CHF235Cl and CHF237Cl (CFC22) in the vibrational ground state between 42 and 214 GHz are reported. A centrifugal distortion analysis up to the sixth order is carried out.

Millimetre-wave spectrum of HC17O+. Experimental and theoretical determination of the quadrupole coupling constant of the 17O nucleus

2001 ◽  
Vol 79 (2-3) ◽  
pp. 359-366 ◽  
Author(s):  
L Dore ◽  
C Puzzarini ◽  
G Cazzoli
Keyword(s):  
Wave Spectrum ◽  
Quadrupole Coupling Constant ◽  
Basis Sets ◽  
Coupling Constant ◽  
Centrifugal Distortion ◽  
Millimetre Wave ◽  
Quadrupole Coupling ◽  
Self Consistent Field ◽  
Centrifugal Distortion Constants

The millimetre-wave spectrum of HC17O+ has been analyzed up to 348.2 GHz by recording the J = 2 [Formula: see text] 1 and J = 4 [Formula: see text] 3 rotational transitions. Present measurements and the previous detection of the J = 1 [Formula: see text] 0 transition carried out in this laboratory allowed us to determine accurate values of the rotational and centrifugal distortion constants, and of the nuclear quadrupole coupling (χ) and spin-rotation constants. Moreover, χ has been evaluated from the electric field gradient at the oxygen nucleus calculated by using the multiconfiguration self-consistent field approach plus subsequent multireference configuration interaction computation, employing basis sets of quadruple zeta quality. Excellent agreement with experiment has been obtained. In addition, the molecular dipole moment has been calculated at the same level of accuracy. PACS No.: 33.20Bx

Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3in the Ground and Different Excited Vibrational States

2008 ◽  
Vol 5 (2) ◽  
pp. 201-218
Author(s):  
Motamedi Masoud ◽  
Moradi Parinaz
Keyword(s):  
Least Squares ◽  
Millimeter Wave ◽  
Theoretical Study ◽  
Rotational Spectroscopy ◽  
Accuracy Analysis ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Rotational Spectra ◽  
Centrifugal Distortion Constants

The millimeter-wave rotational spectra of the ground and excited vibrational states v8= 1 and v8= 2 of the symmetric top molecule CD3CN have been analyzed again. Thel= ± 1 in v8=1,l= 0 andl= ± 2 series in v8= 2 states have been assigned respectively. The assignment and analysis of the measurements with a least – squares procedure have made it possible to obtain the rotational, quartic and sextic centrifugal distortion constants with more reliable and higher accuracy. Analysis of the v8= 2 state gave the following rotational parameters: Aζ = 62218.96 MHz and xll= 87527.70 MHz. Investigation in v8= 2 state indicates thatl-resonance is observed for this molecule aroundk=xℓℓ+(A−B)−2AζAζ−(A−B)≈4.

Application of a PC-Controlled MW-Spectrometer for the Analysis of Ketene-D2. Simultaneous Analysis of Vibrational Excited States Using Microwave and Infrared Spectra

1989 ◽  
Vol 44 (6) ◽  
pp. 538-550 ◽  
Author(s):  
J. Doose ◽  
A. Guarnieri ◽  
W. Neustock ◽  
R. Schwarz ◽  
F. Winther ◽  
...  
Keyword(s):  
Excited States ◽  
Millimeter Wave ◽  
Infrared Spectra ◽  
Personal Computer ◽  
Room Temperature ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Ft Ir ◽  
Centrifugal Distortion Constants ◽  
Wave Spectrometer

D2CCO has been investigated in the first excited vibrational states of the ν9, ν6, and ν5 vibrations. About 150 transitions have been measured partly at room temperature and partly at 360 K using a micro- and millimeter-wave spectrometer provided with an averaging system using a personal computer. Rotational and centrifugal distortion constants have been obtained for the excited states mentioned. A simultaneous least squares analysis of these MW-data with upper state combination differences obtained from FT-IR data has been carried out. Improved sets of molecular parameters have been obtained.

Millimetre wave spectrum of silyl acetylene in the ground vibrational state

1982 ◽  
Vol 60 (8) ◽  
pp. 1079-1080 ◽  
Author(s):  
J. Carlier ◽  
A. Bauer
Keyword(s):  
Signal Processing ◽  
Vibrational State ◽  
Stark Effect ◽  
Wave Spectrum ◽  
Processing System ◽  
Centrifugal Distortion ◽  
Signal Processing System ◽  
Millimetre Wave ◽  
Ground Vibrational State ◽  
Centrifugal Distortion Constants

The millimetre wave spectrum of silyl acetylene in the ground vibrational state has been observed from 125 to 231 GHz. A new signal processing system using Stark effect has been carried out for the detection of the weakest lines. Refined rotational and centrifugal distortion constants have been derived.

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