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.

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 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 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 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.

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.

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.

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.

Microwave Spectrum and Barrier to Internal Rotation of 5-Methylisoxazole

1975 ◽  
Vol 30 (10) ◽  
pp. 1279-1281 ◽  
Author(s):  
P. J. Mjöberg ◽  
W. M. Ralowski ◽  
S. O. Ljunggren
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Microwave Spectrum ◽  
State Transitions ◽  
Rotational Spectrum ◽  
Rotational Constants ◽  
Methyl Group

Abstract The ground state rotational spectrum of 5-methylisoxazole has been studied in the region 18 000 -36 000 MHz. The A and E state transitions have been assigned.The rotational constants are A = 9230.831 MHz, B = 3559.334 MHz and C = 2610.255 MHz and the three-fold barrier to internal rotation of the methyl group was calculated to be 777.2 ± 5.5 cal mol-1 .

Sign in / Sign up

Export Citation Format

Share Document