Rotational spectrum of a chiral α-hydroxyester: conformation stability and internal rotation barrier heights of methyl lactate

2007 ◽  
Vol 9 (11) ◽  
pp. 1324-1328 ◽  
Author(s):  
Nicole Borho ◽  
Yunjie Xu
Keyword(s):  
Internal Rotation ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Methyl Lactate ◽  
Barrier Heights ◽  
Internal Rotation Barrier ◽  
Conformation Stability

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.

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.

Rotational Spectrum and Internal Rotation Barrier of 1-Chloro-1,1-difluoroethane

1997 ◽  
Vol 182 (1) ◽  
pp. 148-162 ◽  
Author(s):  
José L. Alonso ◽  
Juan C. López ◽  
Susana Blanco ◽  
Antonio Guarnieri
Keyword(s):  
Internal Rotation ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Internal Rotation Barrier

The influence of basis set on the ab initio prediction of internal rotation barrier heights in ethene thiol

1992 ◽  
Vol 3 (1) ◽  
pp. 3-8 ◽  
Author(s):  
Christopher Plant ◽  
James E. Boggs ◽  
John N. Macdonald ◽  
Gwilym A. Williams
Keyword(s):  
Ab Initio ◽  
Internal Rotation ◽  
Basis Set ◽  
Rotation Barrier ◽  
Barrier Heights ◽  
Ab Initio Prediction ◽  
Internal Rotation Barrier

Mikrowellenspektrum, Hinderungspotential der internen Rotation und Dipolmoment des Toluols

1967 ◽  
Vol 22 (6) ◽  
pp. 940-944 ◽  
Author(s):  
H. D. Rudolph ◽  
H. Dreizler ◽  
A. Jaeschke ◽  
P. Wendung
Keyword(s):  
Heat Capacity ◽  
Dipole Moment ◽  
Internal Rotation ◽  
Solid Phase ◽  
Heat Capacity Data ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Microwave Rotational Spectrum ◽  
Internal Rotation Barrier ◽  
Capacity Data

The microwave rotational spectrum of toluene has been investigated in the region from 8 to 23 GHz. The three types of absorption lines to be expected in the case of a molecule of this symmetry with a very low sixfold barrier hindering internal rotation of the methyl top have been found: m=0; |m|≠ 0, 3 n; | m | = 3 n. From the lines m= 0 the rotational constants and the dipole moment (0.375 ± 0.01 D) have been determined; from the lines 1 |m|=3 the internal rotation barrier could be calculated as V60 = (13.94 ± 0.1) cal/mole. This value is discussed and compared with the very much larger value derived from solid-phase heat capacity data.

Rotational spectrum, internal rotation barrier and structure of 3,3,3-trifluoropropene

1997 ◽  
Vol 91 (4) ◽  
pp. 731-750 ◽  
Author(s):  
JOSE ALONSO ◽  
ALBERTO LESARRI ◽  
JUAN LOPEZ ◽  
SUSANA BLANCO ◽  
ISABELLE KLEINER ◽  
...  
Keyword(s):  
Internal Rotation ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Internal Rotation Barrier

Rotational spectrum, internal rotation barrier andabinitiocalculations on 1‐chloro‐1‐fluoroethane

1996 ◽  
Vol 104 (24) ◽  
pp. 9729-9734 ◽  
Author(s):  
R. Hinze ◽  
A. Lesarri ◽  
J. C. López ◽  
J. L. Alonso ◽  
A. Guarnieri
Keyword(s):  
Internal Rotation ◽  
Rotational Spectrum ◽  
Rotation Barrier ◽  
Internal Rotation Barrier

Additions and Corrections - Nonbonded Interactions and the Internal Rotation Barrier - Correction

1964 ◽  
Vol 68 (12) ◽  
pp. 3911-3912
Author(s):  
Maurizo Cignitti ◽  
Thomas Allen
Keyword(s):  
Internal Rotation ◽  
Rotation Barrier ◽  
Nonbonded Interactions ◽  
Internal Rotation Barrier
Sign in / Sign up

Export Citation Format

Share Document