Rotational spectra of o-, m-, and p-cyanophenol and internal rotation of p-cyanophenol

2010 ◽  
Vol 12 (29) ◽  
pp. 8350 ◽  
Author(s):  
Andrew R. Conrad ◽  
Nathan Z. Barefoot ◽  
Michael J. Tubergen
Keyword(s):  
Internal Rotation ◽  
Rotational Spectra

Internal methyl rotation and molecular structure of trifluorotoluenes: microwave rotational spectra of 2,3,4- and 2,4,5-trifluorotoluene

2020 ◽  
Vol 98 (6) ◽  
pp. 543-550 ◽  
Author(s):  
K.P. Rajappan Nair ◽  
Sven Herbers ◽  
Daniel A. Obenchain ◽  
Jens-Uwe Grabow
Keyword(s):  
Internal Rotation ◽  
Rotation Axis ◽  
Molecular Constants ◽  
Methyl Carbon ◽  
Rotational Spectra ◽  
Pulsed Jet ◽  
Principal Axes ◽  
The Moment ◽  
Centrifugal Distortion Constants ◽  
Methyl Rotation

The microwave rotational spectra of 2,3,4- and 2,4,5-trifluorotoluenes, along with all 13C isotopic species in natural abundance, have been recorded in the frequency range 8–27 GHz employing pulsed-jet Fourier transform microwave spectroscopy. The analysis of the spectra in the lowest torsional state has yielded the rotational constants, centrifugal distortion constants, three-fold barrier to methyl rotation, and the direction of the internal rotation axis in the moment of inertia principal axes systems of these trifluorotoluenes. For both molecules, the molecular constants of their eight isotopologues have been used to obtain the substitution rs structures of the ring and the methyl-carbon. The potential barriers hindering the internal rotation of the methyl top in 2,3,4- and 2,4,5-trifluorotluene are 2.5878(80) and 2.2809(23) kJ/mol, respectively.

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 .

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.

Rotational spectra of benzyl cyanide assignment of the planar conformer and evidence of a low barrier to internal rotation

1991 ◽  
Vol 243 (3-4) ◽  
pp. 325-339 ◽  
Author(s):  
Xiao-Zhou Liu ◽  
Robert K. Bohn ◽  
Sterling A. Sorenson ◽  
Nancy S. True
Keyword(s):  
Internal Rotation ◽  
Benzyl Cyanide ◽  
Rotational Spectra ◽  
Planar Conformer

Nuclear Quadrupole Hyperfine Structure and Methyl Torsional Fine Structure in the Rotational Spectra of N,N-Dimethylformamide and N-Nitrosodimethylamine

1993 ◽  
Vol 48 (4) ◽  
pp. 570-576 ◽  
Author(s):  
N. Heineking ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Fine Structure ◽  
Hyperfine Structure ◽  
Internal Rotation ◽  
Amino Nitrogen ◽  
Coupling Constants ◽  
Methyl Group ◽  
Rotational Spectra ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

Abstract The complicated nuclear quadrupole hyperfine structure and methyl torsional fine structure in the rotational spectra of N,N-dimethylformamide and N-nitrosodimethylamine have been studied using microwave Fourier transform spectroscopy. It has been found that both molecules are rather similar in terms of their parameters of methyl group internal rotation as well as in terms of their amino nitrogen quadrupole coupling constants.

scholarly journals Methyl Internal Rotation and 14N Nuclear Quadrupole Coupling from the Rotational Spectra of Ethyl Isocyanide, iso-Propyl Isocyanide and gauche- and trans-n-Propyl Isocyanide

1992 ◽  
Vol 47 (10) ◽  
pp. 1067-1072 ◽  
Author(s):  
Michael Krüger ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Vibrational State ◽  
Fourier Transform Spectroscopy ◽  
Coupling Constants ◽  
Ground Vibrational State ◽  
Rotational Spectra ◽  
Barrier Heights ◽  
Quadrupole Coupling ◽  
Nuclear Quadrupole

AbstractThe barrier heights (V3) hindering methyl internal rotation were determined with microwave Fourier transform spectroscopy from the ground vibrational state for the title molecules and found to be V3 = 3.336(52) kcal/mol for ethyl isocyanide, V3 > 3.1 kcal/mol for iso-propyl isocyanide, V3 = 2.894(23) kcal/mol for gauche-n-propyl isocyanide and V3 = 2.954(22) kcal/mol for transn- propyl isocyanide. The quadrupole coupling constants of iso-propyl isocyanide are χaa = 179.3(31) kHz, χbb = -140(15) kHz and χcc - 39(15) kHz; the constants of trans-n-propyl isocyanide were determined to be χaa = 268.1 (71) kHz, χbb = - 108(23) kHz and χcc = - 160(23) kHz.

A Contribution to the Microwave Spectra of eis- and trans-2,3-Dimethyloxirane by Fourier Transform Spectroscopy

1992 ◽  
Vol 47 (10) ◽  
pp. 1051-1057 ◽  
Author(s):  
Holger Hartwig ◽  
Helmut Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Fourier Transform Spectroscopy ◽  
Rotational Spectra ◽  
Potential Barriers ◽  
Microwave Spectra ◽  
Rotation Parameters

AbstractMicrowave Fourier transform spectroscopy was used to reinvestigate the rotational spectra of cisand trans-2,3-dimethyloxirane. The potential barriers hindering the internal rotation, internal rotation parameters, and partial rs-structures were determined.

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