The barrier to the methyl rotation inCis-2-butene and its isomerization energy toTrans-2-butene, revisited

2015 ◽  
Vol 37 (1) ◽  
pp. 143-154 ◽  
Author(s):  
Chérif F. Matta ◽  
Seyed Abdolreza Sadjadi ◽  
Dale A. Braden ◽  
Gernot Frenking
Keyword(s):  
Isomerization Energy ◽  
Methyl Rotation

Methyl Rotation and Reentrant Metal-Insulator Transition in Deuterated (DMe-DCNQ1) 2 Cu System

2002 ◽  
Vol 379 (1) ◽  
pp. 101-106
Author(s):  
Yutaka Nishio ◽  
Yuko Mori ◽  
Sachie Sasaki ◽  
Koji Kajita ◽  
Shuji Aonuma ◽  
...  
Keyword(s):  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
Methyl Rotation

Conformation and dynamics of alkylated bases within DNA: effect of methyl rotation

1995 ◽  
Vol 91 (2) ◽  
pp. 251 ◽  
Author(s):  
Leonor Cruzeiro-Hansson ◽  
Keith Parker ◽  
Julia M. Goodfellow
Keyword(s):  
Methyl Rotation

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.

scholarly journals Methyl-rotation dynamics in metal–organic frameworks probed with terahertz spectroscopy

2018 ◽  
Vol 54 (45) ◽  
pp. 5776-5779 ◽  
Author(s):  
Qi Li ◽  
Adam J. Zaczek ◽  
Timothy M. Korter ◽  
J. Axel Zeitler ◽  
Michael T. Ruggiero
Keyword(s):  
Terahertz Spectroscopy ◽  
Metal Organic Frameworks ◽  
Methyl Groups ◽  
Cryogenic Temperatures ◽  
Void Space ◽  
Metal Organic ◽  
Methyl Rotation ◽  
Rotation Dynamics

In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate – even down to cryogenic temperatures.

scholarly journals Internal Rotation Analysis of the Ground State Microwave Spectrum of 2-Bromopropene

1984 ◽  
Vol 39 (7) ◽  
pp. 637-645
Author(s):  
E. Fliege ◽  
H. Dreizler
Keyword(s):  
Fourier Transform ◽  
Internal Rotation ◽  
Ground State ◽  
Fourier Transform Spectroscopy ◽  
Microwave Spectrum ◽  
Isotopic Species ◽  
Quadrupole Coupling ◽  
Methyl Rotation

The microwave spectrum of 2-bromopropene was reinvestigated with the use of microwave Fourier transform spectroscopy. For the two isotopic species CH3C79Br=CH2 and CH3C81Br=CH2 the bromine quadrupole coupling was determined with higher accuracy. The barrier hindering internal methyl rotation was obtained from the ground state.

CH-stretching overtone spectra and internal methyl rotation in 2,6-difluorotoluene

1997 ◽  
Vol 107 (3) ◽  
pp. 691-701 ◽  
Author(s):  
Chenxi Zhu ◽  
Henrik G. Kjaergaard ◽  
Bryan R. Henry
Keyword(s):  
Methyl Rotation
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