Microwave spectrum of trans-1-methoxy-1,3-butadiene

1977 ◽  
Vol 55 (19) ◽  
pp. 3480-3486 ◽  
Author(s):  
R. Kewley ◽  
S. C. Dass
Keyword(s):  
Vibrational State ◽  
Microwave Spectrum ◽  
The Other ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Microwave Spectra ◽  
Trans Conformer ◽  
Distortion Parameters

The microwave spectra of two conformers of 1-methoxy-1,3-butadiene have been studied in the 18 to 40 GHz region. One conformer is the s-trans conformer of trans-1-methoxy-1,3-butadiene. The other is most likely the corresponding s-cis conformer. The rotational constants for the ground vibrational state are (in MHz) s-trans: A = 24 524(16); B = 1336.51(1); C = 1277.76(1); s-cis: A = 12 642.73(23); B = 1607.61(1); and C = 1439.64(1). The centrifugal distortion parameters DJK and DJ have also been determined for each conformer.For the s-trans conformer two series of torsional satellites have been found which are assigned as O—CH torsion with frequency 60(20) cm−1 and =C—C= torsion, frequency 80(30) cm−1. For the s-cis conformer one series of satellites has been observed, which has been assigned to =C—C= torsion, of frequency 103(30) cm−1.

scholarly journals Microwave Spectrum, Structure and Rotation-Vibration Interaction of Deutero-Fulminic Acid, DCNO

1969 ◽  
Vol 24 (12) ◽  
pp. 1973-1979
Author(s):  
Hans Karl Bodenseh ◽  
Manfred Winnewisser
Keyword(s):  
Vibrational State ◽  
Microwave Spectrum ◽  
Frequency Region ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Ground Vibrational State ◽  
Bending Modes ◽  
O 10 ◽  
Spectrum Structure

The microwave spectrum of the deuterated form of fulminic acid (DCNO) has been investigated in the frequency region from 9 to 42 GHz. For the ground vibrational state of DCNO the following rotational constants were obtained: B0(D12C14N16O) =10 292.50 MHz,B0(D13C14N18O) =10 011.66 MHz,B0(D12C14N18O) = 9 758.87 MHz. The corresponding moments of inertia yield a combined rs and r0 structure: rDC = 1.027 ±0.001 Å, rCN = 1·168 ±0.001 Å, rNO = 1.199 ± 0.001 Å. For the two degenerate bending modes ν4 and ν5 the l-type doublets of the transition J = 1 - 2 and the two corresponding series of l-type doubling transitions have been observed. The analysis of the two l-type doubling series revealed that P4 and P6 centrifugal distortion contributions are sufficient to account for the spectrum. The doubling constants given in MHz are q4 = 17.9103-(0.6467 · 10-4)J(J + 1) +(0.188 · 10-8) [J(J + 1)]2, q5 = 38.0907-(0.3061 · 10-3)J(J + 1) + (0.314 · 10-8)[J(J + 1) ]2. A third series of l-type doubling transitions arising from the II-level of the ν5=3 vibrational state has been found and analysed, yielding: q(0)3×5 =29.2748 ± 1.8 · 10-4 MHz; EΦ-EII=Δ ≅ 41 cm-1.

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.

Microwave Spectrum of Cyclohexene Sulfide

1973 ◽  
Vol 51 (4) ◽  
pp. 529-532 ◽  
Author(s):  
R. Kewley
Keyword(s):  
Excited States ◽  
Relative Intensity ◽  
Vibrational State ◽  
Heavy Atom ◽  
Microwave Spectrum ◽  
Cyclohexene Oxide ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Intensity Measurements

The microwave spectrum of cyclohexene sulfide (7-thiabicycIo[4,1,0]heptane) has been investigated in the 26.5–40 GHz region. R-branch lines due to both a- and c-type transitions have been assigned for the ground vibrational state and for the first excited states of the ring bending and ring twisting modes. From relative intensity measurements the frequencies of these two modes are estimated as: vbend = 115 ± 20 cm−1 and vtwist = 200 ± 60 cm−1. The rotational constants for the ground vibrational state are (in MHz): A = 3512.086 ± 0.010, B = 2057.969 ± 0.003, and C = 1623.023 ± 0.003. These values are consistent with a twisted half chair structure for the heavy atom skeleton of cyclohexene sulfide, similar to that of cyclohexene oxide.

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 and conformation of tetrahydropyran

1969 ◽  
Vol 47 (8) ◽  
pp. 1289-1293 ◽  
Author(s):  
V. M. Rao ◽  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Chair Form ◽  
Principal Axes

The microwave spectrum of tetrahydropyran has been recorded in the region 8–40 GHz. The rotational constants of the molecule in its ground vibrational state are, in MHz, A = 4673.48 ± 0.05, B = 4495.02 ± 0.11, and C = 2601.31 ± 0.05. The dipole moment components are, in Debye units, μa = 1.53 ± 0.02, μc = 0.82 ± 0.02, and μ = 1.74 ± 0.03. The direction of μ with respect to the principal axes of rotation together with the rotational constants show that the observed spectrum is due to the chair form of tetrahydropyran.

Microwave spectrum of allyl cyanide (CH2=CHCH2CN)

1968 ◽  
Vol 46 (8) ◽  
pp. 959-962 ◽  
Author(s):  
K. V. L. N. Sastry ◽  
V. M. Rao ◽  
S. C. Dass
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Stark Effect ◽  
Microwave Spectrum ◽  
Effect Measurement ◽  
Rotational Constants ◽  
Molecular Dipole ◽  
Ground Vibrational State ◽  
Molecular Dipole Moment ◽  
Rotational Isomers

The microwave spectrum of allyl cyanide (3-butenonitrile) was studied in the region from 8 to 26 GHz. It was confirmed that this molecule exists in the two rotational isomers "cis" and "gauche". In the cis form, both a- and b-type transitions were assigned and the rotational constants in the ground vibrational state were calculated to be A = 11 323.01 + 0.08 MHz, B = 3739.20 ± 0.01 MHz, C = 2858.52 ± 0.01 MHz. The molecular dipole-moment components are μa = 3.26 ± 0.01 D, μb = 2.16 ± 0.05 D, and μt = 3.91 ± 0.03 D. For the gauche form, the a-type transitions were assigned and the rotational constants in the ground vibrational state are A = 17 295 MHz, B = 2619.91 ± 0.1 MHz, C = 2497.52 ± 0.1 MHz. The Stark effect measurement in this case gave the components of the dipole moment as μa = 3.69 ± 0.02 D, ub = 1.11 ± 0.06 D, μc = 0.98 ± 0.07 D, and μt = 3.98 ± 0.03 D.

The Microwave Spectrum, Dipole Moment, and Structure of Glycidol

1975 ◽  
Vol 53 (15) ◽  
pp. 2247-2251 ◽  
Author(s):  
W. V. F. Brooks ◽  
K. V. L. N. Sastry
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Hydrogen Atom ◽  
Microwave Spectrum ◽  
Centrifugal Distortion ◽  
Total Dipole Moment ◽  
Hindered Rotation ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Centrifugal Distortion Constants

The microwave spectra of glycidol [Formula: see text] and its deuterated (—OD) form have been studied in the range 8–40 GHz. The rotational (in MHz) and centrifugal distortion constants (in kHz) of glycidol are: A = 10 347.87, B = 4102.36, C = 3781.95; ΔJ = 2.38, ΔJK = −311, ΔK = 5.2, δJ = 0.3159, δK = −9.76. The rotational constants and distortion constants of glycidol (OD) are A = 10 010.31, B = 4056.73, C = 3717.02; ΔJ = 2.53, ΔJK = 197, ΔK = 7.7,δJ = 0.3532,δK = −7.19. The dipole moment components of the normal molecule in Debye units are μa = 0.61, μb = 1.20, μc = 0.52, and the total dipole moment is 1.44 D.A structure is derived with the alcoholic hydrogen atom close (2.5 Å) to the ring oxygen. The structure and the absence of signs of free or hindered rotation, can be accounted for by hydrogen bonding between the proton and the ring oxygen.

Microwave Spectrum of 1,3-Dioxane

1972 ◽  
Vol 50 (11) ◽  
pp. 1690-1697 ◽  
Author(s):  
R. Kewley
Keyword(s):  
Dipole Moment ◽  
Vibrational State ◽  
Microwave Spectrum ◽  
Vibrational States ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Chair Form ◽  
Rotational Spectra

The microwave spectrum of 1,3-dioxane has been studied within the region 8 to 40 GHz. The rotational constants of the molecule in its ground vibrational state are, in MHz, A = 4999.94(0.05), B = 4807.61 (0.05), and C = 2757.12(0.05). The dipole moment components are, in Debye units, μb = 1.61 (0.02), μc = 1.29(0.01), and μ = 2.06(0.03). The values of the above quantities are consistent with a chair form structure. Rotational spectra due to five excited vibrational states of 1,3-dioxane have been assigned.

Centrifugal Distortion Effect in the Microwave Spectrum of 1,3-Dioxane-5-ol

1981 ◽  
Vol 36 (6) ◽  
pp. 622-625 ◽  
Author(s):  
A. Roman ◽  
J. L. Alonso ◽  
F. Mata
Keyword(s):  
Microwave Spectrum ◽  
Frequency Region ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Distortion Effect ◽  
Distortion Parameters

Abstract The microwave spectrum of 1,3-Dioxane-5-ol has been analysed in the frequency region 18.0-40.0 GHz and up to J = 30. The analysis gives refined rotational constants and values for the quartic centrifugal distortion parameters. Comparison is made between the results using two forms of the quartic Hamiltonian

The Rotational Spectrum of Ketene Isotopomers with 18O and 13C Revisited

2003 ◽  
Vol 58 (5-6) ◽  
pp. 275-279 ◽  
Author(s):  
A. Guarnieri ◽  
A. Huckaufa
Keyword(s):  
Vibrational State ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Rotational Constants ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Main Species ◽  
Centrifugal Distortion Constants

The pure rotational spectra of [18O]ketene, H2C=C18O, [1-13C]ketene, H2C=13CO, and [2-13C]ketene, H213C=CO, have been revisited in the frequency region 200 - 350 GHz in the ground vibrational state.From more than 100 R-branch transitions for each isotopomer a set of rotational and centrifugal distortion constants could be derived using the Watson S-reduction formalism. The values obtained for the rotational constants B and C agree very well with results of former investigations. The agreement is worse with respect to the A constants, but our newly determined A values agree well with the corresponding values of the main species and the 17O isotopomer.

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