Rotational spectra, electric dipole moment and methyl group internal rotation barrier of 1,1,1-trifluoropropane

1997 ◽  
Vol 93 (7) ◽  
pp. 1291-1295 ◽  
Author(s):  
Sonia Antolínez ◽  
Juan C. López ◽  
Jose´ L. Alonso
Keyword(s):  
Dipole Moment ◽  
Internal Rotation ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Rotation Barrier ◽  
Methyl Group ◽  
Rotational Spectra ◽  
Internal Rotation Barrier

Mikrowellenspektrum, Hinderungspotential der internen Rotation und Dipolmoment des para-Fluortoluols

1965 ◽  
Vol 20 (12) ◽  
pp. 1682-1686 ◽  
Author(s):  
Heinz Dieter Rudolph ◽  
Helmut Seiler
Keyword(s):  
Dipole Moment ◽  
Internal Rotation ◽  
Absorption Lines ◽  
Type I ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Rotational Constants ◽  
Methyl Group ◽  
Microwave Rotational Spectrum ◽  
Internal Rotation Barrier

The microwave rotational spectrum of para-fluoro-toluene has been investigated in the region from 7 to 31 kmc/s. The three types of absorption lines to be expected in the case of a molecule of this type, i. e. with a very low sixfold barrier hindering the internal rotation of the methyl group, have been found: m=0, | m | ≠ 0, 3 n, | m | = 3 n. From the lines m=0 the rotational constants and the dipole moment, (1.96 ± 0.02) D, have been deduced; from the lines |m|=3 the internal rotation barrier could be calculated as V6=13.82 cal/mole. This V6 is compared with the values found for similar molecules.

Adiabatische Korrektur der Born-Oppenheimer-Näherung beim GeS und GeSe / Adiabatic Correction of the Born-Oppenheimer Approximation for GeS and GeSe

1976 ◽  
Vol 31 (3-4) ◽  
pp. 374-380 ◽  
Author(s):  
W. U. Stieda ◽  
E. Tiemann ◽  
T. Törring ◽  
J. Hoeft
Keyword(s):  
Dipole Moment ◽  
High Precision ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Rotational Constant ◽  
Frequency Range ◽  
Rotational Spectra ◽  
Oppenheimer Approximation

Abstract The rotational spectra of GeS and GeSe were measured in the frequency range of 66 GHz to 110 GHz with high precision. The breakdown of the Born-Oppenheimer approximation was observed for the rotational constant yol. With the known molecular 37-factor and the electric dipole moment the adiabatic part of the Born-Oppenheimer correction can be extracted from the primary observa-tion on y01. The adiabatic correction is very similar in both molecules but differs from the results in the earlier measurements on PbS.

High Resolution Microwave Spectroscopy of Ethyl Vinyl Ether: Accurate Determination of the Methyl Top Internal Rotation Barrier

2000 ◽  
Vol 55 (5) ◽  
pp. 481-485 ◽  
Author(s):  
H. Dreizler ◽  
N. Hansen
Keyword(s):  
Internal Rotation ◽  
Vinyl Ether ◽  
Accurate Determination ◽  
Ethyl Vinyl Ether ◽  
Ethyl Vinyl ◽  
Methyl Group ◽  
Rotational Spectra ◽  
Internal Rotation Barrier ◽  
In Trans

Abstract We have performed an investigation of the internal rotation of the methyl group in trans-cis ethyl vinyl ether by using molecular beam-Fourier transform Microwave (MB-FTMW) spectroscopy. Rotational spectra (up to J = 20) were recorded in the frequency region 4-19 GHz. Due to the internal rotation of the methyl group, some rotational transitions were split and the torsional barrier could be determined to V3 (CH3) = 1074.4(4) cm-1 .

Rotational Spectra of the Less Common Isotopomers, Electric Dipole Moment and the Double Minimum Inversion Potential of H2O···HCl

2000 ◽  
Vol 104 (30) ◽  
pp. 6970-6978 ◽  
Author(s):  
Z. Kisiel ◽  
B. A. Pietrewicz ◽  
P. W. Fowler ◽  
A. C. Legon ◽  
E. Steiner
Keyword(s):  
Dipole Moment ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Rotational Spectra

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.

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