Torsion-vibration coupling in S1 toluene: Implications for IVR, the torsional barrier height, and rotational constants

2015 ◽  
Vol 143 (4) ◽  
pp. 044313 ◽  
Author(s):  
Jason R. Gascooke ◽  
Edwina A. Virgo ◽  
Warren D. Lawrance
Keyword(s):  
Barrier Height ◽  
Rotational Constants ◽  
Torsional Barrier ◽  
Torsion Vibration ◽  
Vibration Coupling

Microwave Spectrum of Acetyl Cyanide in the Ground and Excited States. I

1976 ◽  
Vol 31 (7) ◽  
pp. 840-846
Author(s):  
F. Scappini ◽  
H. Dreizler
Keyword(s):  
Internal Rotation ◽  
Excited States ◽  
Microwave Spectrum ◽  
Coupling Constants ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Torsion Vibration ◽  
Quadrupole Coupling ◽  
Rotation Parameters

Abstract The microwave spectra of acetyl cyanide, CH3COCN, in the ground and in the two lowest excited states have been investigated. The rotational constants and the quadrupole coupling constants have been evaluated for all these states. The internal rotation parameters have been refined with respect to previous works. Evidence for a rotation-torsion -vibration interaction has been found in the spectra of the excited states.

Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH

2017 ◽  
Vol 121 (48) ◽  
pp. 9262-9274 ◽  
Author(s):  
Laura C. Dzugan ◽  
Jamie Matthews ◽  
Amitabha Sinha ◽  
Anne B. McCoy
Keyword(s):  
Torsion Vibration ◽  
Vibration Coupling

Analysis of torsional barrier height of dithioglyoxal

2004 ◽  
Vol 683 (1-3) ◽  
pp. 171-174 ◽  
Author(s):  
Mohammad Solimannejad ◽  
Ljupčo Pejov
Keyword(s):  
Barrier Height ◽  
Torsional Barrier

Tracking molecular structure deformation of nitrobenzene and its torsion–vibration coupling by intense pumping CARS

2016 ◽  
Vol 25 (11) ◽  
pp. 114210
Author(s):  
Chang Wang ◽  
Hong-Lin Wu ◽  
Yun-Fei Song ◽  
Xing He ◽  
Yan-Qiang Yang ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Structure Deformation ◽  
Torsion Vibration ◽  
Vibration Coupling
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