Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum The Methylbarrier of cis-Propanal

1982 ◽  
Vol 37 (9) ◽  
pp. 1035-1037 ◽  
Author(s):  
J. A. Hardy ◽  
A. P. Cox ◽  
E. Fliege ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Model Errors ◽  
Centrifugal Distortion ◽  
Methyl Group ◽  
Distortion Analysis ◽  
High Potential Barrier ◽  
Double Resonances

Abstract The barrier hindering internal rotation of the methyl group was determined by analysing the splittings of rotational lines in the ground state. So model errors are minimized. The assignment was checked by double resonances and a centrifugal distortion analysis.

Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of Ethylbromide

1985 ◽  
Vol 40 (6) ◽  
pp. 575-587 ◽  
Author(s):  
J. Gripp ◽  
H. Dreizler ◽  
R. Schwarz
Keyword(s):  
Hyperfine Structure ◽  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational Ground State ◽  
Distortion Analysis ◽  
High Potential Barrier

For ethylbromide a determination of the parameters of internal rotation is given derived from the rotational spectrum of the torsional and vibrational ground state. The Br-hyperfine structure is reanalysed with higher precision. As high J transitions were measured a centrifugal distortion analysis was necessary.

scholarly journals Determination of a High Potential Barrier Hindering Internal Rotation from the Ground State Spectrum

1983 ◽  
Vol 38 (9) ◽  
pp. 1010-1014 ◽  
Author(s):  
W. Stahl ◽  
H. Dreizler ◽  
M. Hayashi
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
High Potential ◽  
Rotational Spectrum ◽  
High Potential Barrier

Abstract We present an analysis of the rotational spectrum of ethylchloride-35Cl in the ground state. The 35Cl-hfs analysis was extended and the barrier to internal rotation determined from narrow splittings of high J-transitions.

Determination of a High Potential Barrier Hindering Internal Rotation from the Analysis of the Ground State Spectrum: The Case of Ethyl Cyanide

1980 ◽  
Vol 35 (11) ◽  
pp. 1136-1141 ◽  
Author(s):  
D. Boucher ◽  
A. Dubrulle ◽  
J. Demaison ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
High Potential ◽  
State Transitions ◽  
Rotational Spectrum ◽  
Barrier Potential ◽  
High Potential Barrier

Abstract The ground state rotational spectrum of ethyl cyanide has been reinvestigated between 8 and 250 GHz. The barrier potential V3 is calculated from 11 high J, ground state transitions which were found split into doublets. V3 is 3007 cal/mole, assuming Iα = 3.167 u Å2 and ∢ (i,a) = 48.65°. The splittings of the K-doublet transitious have also been analyzed.

Internal Rotation Analysis of the Ground State Microwave Spectrum of 2-Iodopropene

1994 ◽  
Vol 49 (3) ◽  
pp. 497-502 ◽  
Author(s):  
Joachim Gripp ◽  
Helmut Dreizier
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Microwave Spectroscopy ◽  
Microwave Spectrum ◽  
Spin Rotation ◽  
Approximate Determination ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Coupling Parameters

Abstract The ground state microwave spectrum of 2-iodopropene has been reinvestigated using Fourier transform microwave spectroscopy. The barrier hindering methyl internal rotation could be ob­ tained from narrow splittings of high-J lines. In addition an improved hyperfme structure and centrifugal distortion analysis resulted in refined constants and an approximate determination of the iodine spin-rotation coupling parameters.

Centrifugal Distortion and Internal Rotation Analysis in the Ground State of Trans N-Propanol

1981 ◽  
Vol 36 (11) ◽  
pp. 1187-1191 ◽  
Author(s):  
H. Dreizier ◽  
F. Scappini
Keyword(s):  
Internal Rotation ◽  
Potential Barrier ◽  
Ground State ◽  
Frequency Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Distortion Analysis

The ground state rotational spectrum of the trans n-propanol (CH3CH2CH2OH) has been reinvestigated expanding the frequency region, with respect to a previous study, from 8 to 40 GHz. A centrifugal distortion analysis has been carried out by measuring new transitions, including μa- transitions not observed before. The potential barrier V3 to the methyl top internal rotation has been determined from fourteen transitions which were found split into doublets. V3 is 2730 ± 60 cal/mole, ∢(i, a) = 29° ± 1°, assuming Ia = 3.193 uÅ2.

Centrifugal Distortion and Ground State Internal Rotation Analysis of the Microwave Spectrum of Dimethylsulfoxide

1983 ◽  
Vol 38 (6) ◽  
pp. 668-675 ◽  
Author(s):  
E. Fliege ◽  
H. Dreizler ◽  
V. Typke
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Accurate Determination ◽  
Microwave Spectrum ◽  
Rotation Barrier ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Internal Rotation Barrier ◽  
Centrifugal Distortion Constants

The torsional Fine structure of dimethylsulfoxide has been reinvestigated with MWFT-spectroscopy. The higher resolution results in a more accurate determination of the internal rotation barrier V3. The centrifugal distortion analysis is extended to sixth order. The prediction of lines is excellent, but some centrifugal distortion constants are poorly determined

Determination of a High Potential Barrier Hindering Internal Rotation in 2-Methylcyclopentanone and α-Methyl-γ-Butyrolactone by Microwave Fourier Transform Spectroscopy

1992 ◽  
Vol 47 (6) ◽  
pp. 761-764 ◽  
Author(s):  
J. L. Alonso ◽  
N. Heineking ◽  
H. Dreizler ◽  
N. Heineking ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Excited States ◽  
Fourier Transform Spectroscopy ◽  
Vibrationally Excited ◽  
Methyl Group ◽  
Internal Rotation Barrier ◽  
High Potential Barrier ◽  
Method Analysis

AbstractThe microwave spectra of α-methyl-γ-butyrolactone and 2-methylcyclopentanone have been reinvestigated using microwave Fourier transform spectroscopy. A-E splittings due to internal rotation of the methyl group have been observed in the ground and several vibrationally excited states for both molecules. From an internal-axis-method analysis of these splittings, values of the methyl group internal rotation barrier of 2.61 kcal mol-1 for α-methyl-γ-butyrolactone and 2.41 kcal mol-1 for 2-methylcyclopentanone have been obtained.

Millimeter Wave Rotational Spectrum and Centrifugal Distortion of Thioketene, H2C==C=S

1980 ◽  
Vol 35 (5) ◽  
pp. 483-489 ◽  
Author(s):  
Manfred Winnewisser ◽  
Eckhard Schäfer
Keyword(s):  
Dipole Moment ◽  
Ground State ◽  
Wavelength Region ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Millimeter Wavelength ◽  
Vibrational Ground State ◽  
Distortion Analysis ◽  
Centrifugal Distortion Constants

Abstract a-type rotational transitions of molecules in the vibrational ground state of thioketene, H2C=C=S, have been measured in the millimeter wavelength region. The measurements yielded improved rotational constants:A = 286 655(82) MHz,B = 5 659.47596(72) MHz,C = 5 544.51269(72) MHz.A detailed centrifugal distortion analysis by means of Watson's S-reduced Hamiltonian led to the determination of four quartic, two sextic and two higher order distortion constants:DJ = 1.08569(4) kHz, HJK = 0.716(20) Hz, DJK = 168.269(77) kHz, HKJ = -408.7(73) Hz, D1 = -25.46(68) Hz, LKJ = 0.65(24) Hz, d2 = - 5.21(35) Hz, SKJ = -0.0533(24) Hz. Effective rotational and centrifugal distortion constants using planarity conditions were calculated. The electric dipole moment of thioketene was determined to be μ = 1.01(3) D.

Barrier to Internal Rotation, Centrifugal Distortion Analysis and Structural Considerations of Methanesulfenylchloride

1970 ◽  
Vol 25 (1) ◽  
pp. 18-25 ◽  
Author(s):  
Antonio Guarnieri
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Centrifugal Distortion ◽  
Distortion Analysis ◽  
Quadrupole Coupling

Abstract An investigation of the microwave spectrum of CH3SC1 35 in the excited torsional state has been carried out. The barrier to internal rotation and other connected parameters are thus obtained. A centrifugal distortion analysis of the microwave spectrum of CH3SC1 35 in the ground state is also performed to predict high J transitions. A /-"-structure and bond axis quadrupole coupling constants are also considered.

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