scholarly journals Rovibrational Interaction and Vibrational Constants of the Symmetric Top Molecule14NF3

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Hamid Najib
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Fourier Transform Infrared ◽  
Interaction Parameters ◽  
Centimeter Wave ◽  
Experimental Values ◽  
Vibrational Constants

Several accurate experimental values of the and rotation-vibration interaction parameters and , , and vibrational constants have been extracted from the most recent high-resolution Fourier transform infrared, millimeter wave, and centimeter wave investigations in the spectra of the oblate symmetric top molecule14NF3. The band-centres used are those of the four fundamental, the overtones, the combination, and hot bands identified in the region between 400 cm−1and 2000 cm−1. Comparison of our constants with the ones measured previously, by infrared spectroscopy at low resolution, reveals orders of magnitude higher accuracy of the new values. The agreement between our values and those determined byab initiocalculations employing the TZ2Pf basis is excellent.

High-resolution Fourier-transform infrared spectroscopy of the Coriolis coupled ground state and ν7 mode of ketenimine

2011 ◽  
Vol 134 (23) ◽  
pp. 234306 ◽  
Author(s):  
Michael K. Bane ◽  
Evan G. Robertson ◽  
Christopher D. Thompson ◽  
Chris Medcraft ◽  
Dominique R. T. Appadoo ◽  
...  
Keyword(s):  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
High Resolution ◽  
Fourier Transform Infrared Spectroscopy ◽  
Ground State ◽  
Fourier Transform Infrared

Gas-phase detection of the FCO2 radical by millimeter wave and high resolution infrared spectroscopy assisted by ab initio calculations

2003 ◽  
Vol 118 (3) ◽  
pp. 1214-1220 ◽  
Author(s):  
Zdeněk Zelinger ◽  
Pascal Dréan ◽  
Adam Walters ◽  
Juan Ramon Avilès Moreno ◽  
Marcel Bogey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Phase Detection

scholarly journals High-Resolution Infrared Spectroscopy of the v1+ v4Band of14NF3:Reductions of the Rovibrational Hamiltonian

2012 ◽  
Vol 9 (1) ◽  
pp. 253-259 ◽  
Author(s):  
Hamid Najib ◽  
Siham Hmimou ◽  
Hicham Msahal
Keyword(s):  
Experimental Data ◽  
Fourier Transform ◽  
Infrared Spectroscopy ◽  
Excited State ◽  
High Resolution ◽  
Infrared Spectrum ◽  
Fourier Transform Infrared ◽  
Sixth Order ◽  
Degenerate State ◽  
Unitary Equivalence

The high-resolution Fourier transform infrared spectrum of nitrogen trifluoride NF3has been studied in the v1+ v4perpendicular band region around 1523 cm−1. All experimental data have been refined applying various reduction forms of the effective rovibrational Hamiltonian developed for an isolated degenerate state of a symmetric top molecule. The v1= v4= 1 excited state of the14NF3oblate molecule was treated with models taking into account ℓ- andk-type intravibrational resonances. Parameters up to sixth order have been accurately determined and the unitary equivalence of the derived parameter sets in different reductions was demonstrated.

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