The microwave spectrum and conformation of hydroxyacetone: The influence of hydrogen bonding on the barrier to internal rotation of the methyl group

2009 ◽  
Vol 18 (S14) ◽  
pp. 443-453 ◽  
Author(s):  
Mano Kattija-Ari ◽  
Marlin D. Harmony
Keyword(s):  
Hydrogen Bonding ◽  
Internal Rotation ◽  
Microwave Spectrum ◽  
Methyl Group

Gauche Propanal: Microwave Spectrum and Methyl Barrier

1987 ◽  
Vol 42 (9) ◽  
pp. 957-962 ◽  
Author(s):  
Jeremy Randeil ◽  
A. Peter Cox ◽  
H. Dreizier
Keyword(s):  
Internal Rotation ◽  
Ground State ◽  
Rotational Constant ◽  
Microwave Spectrum ◽  
Methyl Group

The barrier hindering internal rotation of the methyl group was determined by analysing ground-state A, E splittings of rotational lines in the 0+ and 0- torsional states of gauche propanal. The value V3 = 886 (10)cm-1 obtained can be compared with that obtained earlier for the cis rotamer.The A rotational constant has also been determined, its value averaged over the two lowest states being 26248.41 (5) MHz.

scholarly journals Microwave Spectrum of Ethyl Iodid: Internal Rotation Analysis

1980 ◽  
Vol 35 (4) ◽  
pp. 442-446 ◽  
Author(s):  
D. Boucher ◽  
A. Dubrulle ◽  
J. Demaison
Keyword(s):  
Internal Rotation ◽  
Plane Deformation ◽  
Microwave Spectrum ◽  
The Other ◽  
Kcal Mole ◽  
Coriolis Interaction ◽  
Methyl Group ◽  
Rotational Spectra ◽  
First Excited State ◽  
Methyl Torsion

Abstract The rotational spectra of the first excited state of the methyl torsion and the CCI-in plane deformation of CH3CH2I have been studied. A Coriolis interaction between these two modes has been found. Splittings of transitions in the first excited torsional state show that the barrier hindering internal rotation of the methyl group is 3.62 kcal/mole. This value agrees quite well with the value previously reported from Raman studies. It is internally consistent and similar to the other ethyl halides.

The Microwave Spectrum of 4-Methylisothiazole

1991 ◽  
Vol 46 (7) ◽  
pp. 635-638 ◽  
Author(s):  
H.-W. Nicolaisen ◽  
J.-U. Grabow ◽  
N. Heineking ◽  
W. Stahl
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Molecular Beam ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Fourier Transform Spectrometer ◽  
Methyl Group ◽  
Quadrupole Coupling ◽  
Internal Rotor ◽  
Rotor Axis

The microwave spectrum of 4-methylisothiazole was assigned by means of a pulsed molecular beam microwave Fourier transform spectrometer. Analysis of the spectrum yielded the rotational constants .4 = 7370.642(31) MHz, B = 2515.8461 (30) MHz, C = 1897.2863(33) MHz, a threefold barrier to internal rotation of the methyl group of V3 = 3170.81 (130) GHz≙ 105.7669(430) cm-1, a momentum of inertia of the methyl group of Iα = 3.16769(130) amu · Å2 and an angle between internal rotor axis and principal a-axis of Θ= 5.406(38)°. The nitrogen quadrupole coupling constants were determined to be χ+ = χbb + χcc = 1.4822(14) MHz, χ -= χbb-χcc = - 1.4353(25) MHz and χab= - 3.16(12) MHz.

Generation, Microwave Spectrum, Barrier to Internal Rotation of Methyl Group, and ab Initio MO Calculation of syn-2-Nitrosopropene, syn-CH2C(CH3)NO

2000 ◽  
Vol 204 (1) ◽  
pp. 26-35 ◽  
Author(s):  
Takeshi Sakaizumi ◽  
Hirotaka Imajo ◽  
Rie Yamasaki ◽  
Tsuyoshi Usami ◽  
Sachiko Kawaji ◽  
...  
Keyword(s):  
Ab Initio ◽  
Internal Rotation ◽  
Microwave Spectrum ◽  
Methyl Group ◽  
Mo Calculation ◽  
Ab Initio Mo
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