Determination of the Internal Rotation Barrier in Ethane by the SCF‐Xα Scattered‐Wave Method

1972 ◽  
Vol 56 (7) ◽  
pp. 3715-3716 ◽  
Author(s):  
U. Wahlgren ◽  
K. H. Johnson
Keyword(s):  
Internal Rotation ◽  
Scattered Wave ◽  
Rotation Barrier ◽  
Wave Method ◽  
Internal Rotation Barrier

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.

The Microwave Spectra of m-Xylene and m-Xylene-d10. Determination of the Low Methyl Internal Rotation Barrier

2001 ◽  
Vol 56 (9-10) ◽  
pp. 635-640 ◽  
Author(s):  
C. Thomsen ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Microwave Spectroscopy ◽  
Methyl Groups ◽  
Rotation Barrier ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Rotational Spectra ◽  
Internal Rotation Barrier

Abstract The rotational spectra of m-xylene, (CH3)2C6H4 and of m-xylene-d10, (CD3)2C6D4 have been recorded between 6 and 26.5 GHz using pulsed beam Fourier transform microwave spectroscopy. The clue for the assignment of the internal rotation multiplets was the inertial defect derived from the A1A1 species transitions. The rotational constants for m-xylene and m-xylene-d10 are A = 3572.1117(1) MHz / 2896.1195(17) MHz, B = 1761.8621(1) MHz / 1446.0236(15) MHz, C =1197.3943(2) MHz / 988.2357(7) MHz, the barrier to internal rotation of the two methyl groups are V3 = 53.7(16) J/mol / 39.8(5) J/mol, their moments of inertia were assumed to be I∞= 3.14 uÅ2 / 6.28 uÅ2.

Determination of the Internal Rotation Barrier of [15N]Formamide from Gas-Phase1H NMR Spectra

1998 ◽  
Vol 120 (8) ◽  
pp. 1934-1935 ◽  
Author(s):  
Angela N. Taha ◽  
Susan M. Neugebauer Crawford ◽  
Nancy S. True
Keyword(s):  
Internal Rotation ◽  
Nmr Spectra ◽  
Rotation Barrier ◽  
Internal Rotation Barrier

Determination of the threefold internal rotation barrier in ArNH3

1994 ◽  
Vol 100 (4) ◽  
pp. 2413-2421 ◽  
Author(s):  
A. Grushow ◽  
W. A. Burns ◽  
S. W. Reeve ◽  
M. A. Dvorak ◽  
K. R. Leopold
Keyword(s):  
Internal Rotation ◽  
Rotation Barrier ◽  
Internal Rotation Barrier

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

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