Centrifugal Distortion Parameters of Fulminic Acid, HCNO, from the Millimeter-Wave Rotational Spectra

1971 ◽  
Vol 26 (1) ◽  
pp. 128-131 ◽  
Author(s):  
Manfred Winnewisser ◽  
Brenda P. Winnewisser
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Molecular Constants ◽  
Rotational Spectra ◽  
First Excited State ◽  
Bending Modes ◽  
Distortion Parameters

Abstract A newly designed millimeter-wave spectrometer has been employed for precise measurements of the millimeter-wave rotational spectrum of HCNO. Absorptions in several excited vibrational states as well as the ground state could be measured. The present paper presents the observed frequen­ cies and molecular constants obtained for the ground state and the first excited state of v4 and of v5, the vibrational bending modes

scholarly journals New Investigation of Millimeter-Wave Rotational Spectrum of CCl3CN in Ground, v7= 1 and v8= 1 States

2008 ◽  
Vol 5 (4) ◽  
pp. 946-962
Author(s):  
Masoud Motamedi ◽  
Tahere Zohrevand
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the ground and excited vibrational states v7=1 and v8=1 of the symmetric top molecule, CCl3CN, have been analyzed again. The B0= 1666.80894(13) MHz, DJ= 0.135023 (23) kHz, DJK= 0.60596 (45) kHz, HJ= -0.0192 (10) mHz, HJK= 1.188 (34) mHz and HKJ= -1.60 (21) mHz have been determined for ground state. The 𝓁 = ±1 series have been assigned and the rotational parameters including B7=1667.96659(25) MHz, (q+t)7=1.58855(94) MHz for v7=1 and B8=1667.08204 (31) MHz, (q+t)8= 1.6141(36) MHz for v8= 1 states were determined accurately.

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.

scholarly journals Study of Millimeter-Wave Rotational Spectra ofTrioxane in Ground, v(A), v1(E) = 1 and v2(E) = 1 States

2009 ◽  
Vol 6 (s1) ◽  
pp. S259-S279 ◽  
Author(s):  
Masoud Motamedi ◽  
Najmehalsadat Khademi
Keyword(s):  
Excited State ◽  
Excited States ◽  
Millimeter Wave ◽  
Ground State ◽  
Vibrational States ◽  
Rotational Spectra ◽  
First Time

The millimeter-wave rotational spectra of the ground and excited vibrational states v(A), v1(E) =1 and v2(E ) =1 of the oblate symmetric top molecule, (CH2O)3, have been analyzed again. The B0= 5273.25747MHz, DJ= 1.334547 kHz, DJk= -2.0206 kHz, HJ(-1.01 mHz), HJK(-3.80 mHz), and HKJ(4.1 mHz) have been determined for ground state. For non degenerate excited state, vA(1), the B = 5260.227723 MHz and DJand DJKwere determined 1.27171 kHz and -1.8789 kHz respectively. The 1=±1 series have been assigned in two different excited states v1(E) =1 and v2(E) =1.Most of the parameters were determined with higher accuracy compare with before. For the v2(E) =1 state the Cζ=-1940.54(11) MHz and qJ= 0.0753 (97) kHz were determined for the first time.

Acetyl Cyanide II. Rotation–Torsion–Vibration Interaction in the Rotational Spectrum

1976 ◽  
Vol 31 (11) ◽  
pp. 1398-1407 ◽  
Author(s):  
F. Scappini ◽  
H. Mäder ◽  
H. Dreizler
Keyword(s):  
Excited States ◽  
Ground State ◽  
Degrees Of Freedom ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Torsion Vibration ◽  
First Excited State ◽  
Methyl Torsion ◽  
Theoretical Considerations ◽  
Internal Degrees Of Freedom

Abstract The rotation-torsion-vibration interaction in acetyl cyanide, CH3COCN, has been studied in the rotational spectra of the first excited state of the methyl torsion and of the CCN-in-plane bending. A model with two internal degrees of freedom has been used to account for the A-E rotational splittings in the ground state and in the two excited states simultaneously. The constants in the Fourier expansion of the potential hindering the methyl torsion are determined. The results are compared with those obtained in a previous work from the A-E rotational splittings of the ground state only, using a model with one degree of freedom. Group theoretical considerations are made upon the Hamiltonian used in the present analysis.

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.

scholarly journals New Investigation of Millimeter-Wave Rotational Spectrum of CF3CN in the Excited Vibrational States v7=1 and v8=1

2007 ◽  
Vol 4 (1) ◽  
pp. 67-78
Author(s):  
Masoud Motamedi ◽  
Bahram Vahabzadeh Zargari
Keyword(s):  
Millimeter Wave ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the excited vibrational states v7=1 and v8=1 of the symmetric top molecule trifluoroacetonitrile, CF3CN, have been analyzed again. The ζ=±1 series have been assigned and the rotational parameters including B7=2944.9748(14) MHz, q+t=1.4505(16) MHz for v7=1 and B8=2950.4853(4) MHz, q+t= 3.6035(20) MHz for v8=1states were determined accurately.

The Millimeter Wave Spectrum of DCNO: An Example of Current Measurements in the Frequency Range from 60 to 350 GHz

1974 ◽  
Vol 29 (4) ◽  
pp. 633-641 ◽  
Author(s):  
Manfred Winnewisser ◽  
Brenda P. Winnewisser
Keyword(s):  
Excited State ◽  
Millimeter Wave ◽  
Ground State ◽  
Preliminary Data ◽  
Wave Spectrum ◽  
Frequency Range ◽  
Simple Method ◽  
Efficient System ◽  
First Excited State ◽  
Bending Modes

An efficient system for preliminary data reduction is described which completes a recently developed data acquisition and reduction system for the measurement of millimeter wave absorption lines with the help of a dedicated computer. A simple method of automatically determining the absorption line centers is given. Rotational transitions of DCNO, measured with the above system, are reported for the ground state and the first excited state of each of the two bending modes ν4 and ν5. The rotational and rotation-vibration constants obtained for these states are B0 = 10,292.48340 (31) MHz, D0 = 3.5418 (10) kHz,Bν4 = 10,306.00780 (45) MHz, Dν4 = 3.6409 (22) kHz,Bν5 = 10,338.65942 (32) MHz, Dν5 = 3.6208 (16) kHz.The l-type doubling constants q.t0) and qt(1) agree with the values obtained previously from direct l-type doubling transitions.

Ground State Centrifugal Distortion Constants of Trans-Acrolein, CH2 = CH — CHO from the Microwave and Millimeter Wave Rotational Spectra 1,2

1975 ◽  
Vol 30 (8) ◽  
pp. 1001-1014 ◽  
Author(s):  
Manfred Winnewisser ◽  
Gisbert Winnewisser ◽  
T. Honda ◽  
E. Hirota
Keyword(s):  
Ground State ◽  
Vibrational State ◽  
Line Search ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Spectra ◽  
Measured Absorption ◽  
Centrifugal Distortion Constants ◽  
Line Positions

Abstract The pure rotational spectrum of trans-acrolein in the ground vibrational state has been assigned in the frequency region from 8 GHz to 180 GHz. The measured absorption lines encompass a-type transitions from the qRK, qQ1, qQ2 branches and 6-type transitions from the rP0, rP1, rP2, rR0 brandies for values of J up to 23. The rotational constants have been refined and all quartic and sextic centrifugal distortion constants have been determined using Watson's reduced Hamiltonian. This information has been used to predict line positions of astrophysical interest to warrant the interstellar line search for trans-acrolein.

Rotational analysis of four bands of the γ′(B3Π–X3Δ) system of TiO

1979 ◽  
Vol 57 (1) ◽  
pp. 54-68 ◽  
Author(s):  
William H. Hocking ◽  
M. C. L. Gerry ◽  
A. J. Merer
Keyword(s):  
Ground State ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Centrifugal Distortion ◽  
Molecular Constants ◽  
Full Matrix ◽  
Ground State Spin ◽  
State Spin ◽  
Distortion Parameters ◽  
Π State

The (0,0), (1,0), (0,1), and (1,1) bands of the γ′(B3Π–X3Δ) system of TiO have been rotationally analysed up to J = 55. Accurate molecular constants have been determined for the ν = 0and ν = 1 levels of the B3Π and X3Δ states. The three substates of the B3Π state all show significant Λ-type doubling, which has been analysed using a full matrix treatment. Our new results give corrected values for the ground state spin–orbit splittings; they also illustrate very clearly the problem of the correlation of the various centrifugal distortion parameters appearing in the Hamiltonian for a triplet electronic state.

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