scholarly journals A Redetermination of the Barrier to Internal Rotation of 2-Fluoropropene

1985 ◽  
Vol 40 (3) ◽  
pp. 267-270
Author(s):  
G. Bestmann ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Evaluation Method ◽  
Rotational Spectrum ◽  
Complete Set

We present the determination of the methyl barrier to internal rotation from the rotational spectrum in the ground state of 2-fluoropropene. A complete set of barrier parameters could be determined. The results are compared with those of 2-chloro- and 2-bromopropene, achieved by the same technique and evaluation method.

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 Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of Propane

1985 ◽  
Vol 40 (3) ◽  
pp. 271-273 ◽  
Author(s):  
G. Bestmann ◽  
W. Lalowski ◽  
H. Dreizler
Keyword(s):  
Fine Structure ◽  
Internal Rotation ◽  
Ground State ◽  
Methyl Groups ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Rotation Axes ◽  
Internal Rotation Barrier ◽  
The Moment

The internal rotation barrier V3, the moment of inertia Iα of the methyl tops and the angle between the two internal rotation axes were determined from the torsional fine structure of the rotational spectrum in the torsional ground state. A tilt angle of 1.4° of the methyl groups toward each other results.

Determination of a High Barrier Hindering Internal Rotation from the Ground State Spectrum. The Methylbarrier of 1-Butyne

1985 ◽  
Vol 40 (3) ◽  
pp. 263-266 ◽  
Author(s):  
G. Bestmann ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Rotational Spectrum ◽  
Rotational Spectra

With 1-butyne a series of barrier determinations from rotational spectra in the torsional ground state of ethyl compounds was continued. The barrier is different to the value from an analysis of the rotational spectrum of the first torsional state.

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.

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.

Analysis of Internal Rotation and Determination of the Heavy Atom Structure of anti-2,3-Dimethylthiirane by Fourier Transform Microwave Spectroscopy

1996 ◽  
Vol 51 (10-11) ◽  
pp. 1099-1106 ◽  
Author(s):  
Holger Hartwig ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Ground State ◽  
Heavy Atom ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Advanced Technique ◽  
Fourier Transform Microwave Spectroscopy ◽  
Potential Parameters

Abstract We used the advanced technique of Fourier transform microwave spectroscopy to measure and assign the ground state rotational spectrum of anti-2,3-dimethylthiirane, and to analyse the internal rotation of the two methyl groups. The potential parameters obtained are V3 = 13.1678(21) and V12' = -1.6678(25) kJ/mol. The measurement and assignment of the 13C and 34S isotopomers in the ground state allowed to determine the molecular structure of the heavy atom frame using the Τs and Τ0 methods.

scholarly journals Methyl Internal Rotation Fine Structure in the Ground State Rotational Spectrum of Gauche Butane

1990 ◽  
Vol 45 (8) ◽  
pp. 989-994 ◽  
Author(s):  
Kirsten Vormann ◽  
Helmut Dreizler ◽  
Hans Hübner ◽  
Wolfgang Hüttner
Keyword(s):  
Fine Structure ◽  
Internal Rotation ◽  
Barrier Height ◽  
Ground State ◽  
High Accuracy ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Vibrational Ground State ◽  
Rotation Parameters

Abstract The methyl torsional fine structure in the rotational spectrum of gauche butane in the vibrational ground state was investigated in the frequency range between 10 and 141 GHz. Using the internal axis method (IAM) in the formulation of Woods, all internal rotation parameters were determined with high accuracy. The barrier height of the methyl internal rotation was determined to 11.34 (29) kJ/mol (2.710 (69) kcal/mol)

Analysis of Torsion in a Three-Top Molecule. Torsional Barrier and Moment of Inertia of Trimethyl Ethynyl Germane

1996 ◽  
Vol 51 (4) ◽  
pp. 299-305 ◽  
Author(s):  
K. Voges ◽  
J. Gripp ◽  
H. Hartwig ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Molecular Beam ◽  
Rotational Constant ◽  
Rotational Transition ◽  
Microwave Spectroscopy ◽  
Rotational Spectrum ◽  
Molecular Symmetry ◽  
Torsional Barrier ◽  
Symmetry Species

Internal rotation effects for a large number of molecules containing one or two symmetric internal rotors have been investigated using microwave spectroscopy. The high resolution of molecular beam Fourier transform microwave spectroscopy revealed now the internal rotation fine structure in the rotational spectrum of trimethyl ethynyl germane, (CH3)3GeC=CH. After assigning the rotational transition J = 1 → 0 in the vibrational and torsional ground state to the symmetry species of the molecular symmetry group G162 , the torsional barrier V3 and the rotational constant B0 could be determined to (4.5±0.2) kJ/mol and (1823.370±0.010) MHz, respectively.

A Reinvestigation of the Rotational Spectrum of 2-Chloropropene

1983 ◽  
Vol 38 (11) ◽  
pp. 1231-1237 ◽  
Author(s):  
E. Fliege ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Ground State ◽  
Fourier Transform Spectroscopy ◽  
Microwave Spectrum ◽  
Rotational Spectrum ◽  
Isotopic Species ◽  
Quadrupole Coupling

The microwave spectrum of 2-chloropropene was reinvestigated using microwave Fourier transform spectroscopy. For the two isotopic species CH3C35Cl=CH2 and CH3C37Cl=CH2 the chlorine quadrupole coupling was determined with higher accuracy. The barrier to internal rotation was determined from the ground state. For comparison the first excited torsional state of CH3C35Cl=CH2 was remeasured and reanalysed

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