Structure and methyl torsion of halogenated toluenes: Rotational spectrum of 3,4-difluorotoluene

2019 ◽  
Vol 355 ◽  
pp. 19-25 ◽  
Author(s):  
K.P. Rajappan Nair ◽  
Sven Herbers ◽  
Jens-Uwe Grabow
1983 ◽  
Vol 38 (4) ◽  
pp. 447-451 ◽  
Author(s):  
J. Demaison ◽  
D. Boucher ◽  
J. Burie ◽  
A. Dubrulle

The rotational spectrum of ethyl acetylene has been investigated between 70 and 320 GHz. A Coriolis interaction has been found between the first excited state of the methyl torsion and the C - C = C in plane deformation. Splittings of transitions in the first excited torsional state show that the barrier hindering internal rotation of the methyl group amounts to 3271 cal/mole.


1976 ◽  
Vol 31 (11) ◽  
pp. 1398-1407 ◽  
Author(s):  
F. Scappini ◽  
H. Mäder ◽  
H. Dreizler

Abstract The rotation-torsion-vibration interaction in acetyl cyanide, CH3COCN, has been studied in the rotational spectra of the first excited state of the methyl torsion and of the CCN-in-plane bending. A model with two internal degrees of freedom has been used to account for the A-E rotational splittings in the ground state and in the two excited states simultaneously. The constants in the Fourier expansion of the potential hindering the methyl torsion are determined. The results are compared with those obtained in a previous work from the A-E rotational splittings of the ground state only, using a model with one degree of freedom. Group theoretical considerations are made upon the Hamiltonian used in the present analysis.


1978 ◽  
Vol 33 (2) ◽  
pp. 204-213 ◽  
Author(s):  
G. K. Pandey ◽  
H. Dreizler

The rotation - torsion - vibration interaction in the normal and 15N isotopic species of Acetyl Cyanide is studied in the rotational spectrum of ground, first excited state of methyl torsion and first excited state of CCN in plane bending vibration. With respect to a previous -work [1] a more detailed check of a model with five degrees of freedom, comprising three for the overall rotation and two for the two lowest vibrations was possible. Potential parameters were fitted simultaneously to the splittings of the rotational transitions in the ground, excited torsional and excited vibrational states for the normal and 15N isotopic species of the molecule. The coefficients V3 and V6 of the Fourier expansion of the hindering potential for the torsion and two interaction constants V3c′ and F3c″ for the torsion and in plane CCN bending vibration were determined, apart from the harmonic force constant k2q for the vibration, which is obtained from the measured infrared data of the normal species. Using these results, the (E-A) splittings of the rotational transitions could be nicely reproduced but not the absolute frequencies of the rotational transitions.


1996 ◽  
Vol 88 (3) ◽  
pp. 673-682 ◽  
Author(s):  
K. HINDS ◽  
A.C. LEGON ◽  
J.H. HOLLOWAY

Author(s):  
Daniel Zaleski ◽  
Corey Evans ◽  
Lisa-Maria Dickens ◽  
Nick Walker ◽  
Susanna Stephens ◽  
...  

Author(s):  
Elena Alonso ◽  
José Alonso ◽  
J.-C. Guillemin ◽  
Zbigniew Kisiel ◽  
Lucie Kolesniková
Keyword(s):  

Author(s):  
Weixing Li ◽  
Walther Caminati ◽  
Rolf Meyer ◽  
Qian Gou ◽  
Luca Evangelisti

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