scholarly journals Interplay of experiment and theory: high resolution infrared spectrum and accurate equilibrium structure of BF2OH

2015 ◽  
Vol 17 (45) ◽  
pp. 30440-30449 ◽  
Author(s):  
Natalja Vogt ◽  
Jean Demaison ◽  
Heinz Dieter Rudolph ◽  
Agnès Perrin
Keyword(s):  
High Resolution ◽  
Infrared Spectrum ◽  
Principal Axis ◽  
Equilibrium Structure ◽  
Large Rotation ◽  
Principal Axis System

Substitution of hydrogen by deuterium induces a large rotation of the principal axis system that amplifies the errors.

The high-resolution infrared spectrum of H3Si79Br from 2100 to 2330 cm-1. The v 1 and v 4 fundamentals

1991 ◽  
Vol 72 (3) ◽  
pp. 575-592 ◽  
Author(s):  
F. Lattanzi ◽  
C. Di Lauro ◽  
H. Bürger
Keyword(s):  
High Resolution ◽  
Infrared Spectrum

High Resolution Infrared Spectra of the ν2 and 2ν1 Bands of 14N16O2

1975 ◽  
Vol 53 (19) ◽  
pp. 1902-1926 ◽  
Author(s):  
Aldée Cabana ◽  
Michel Laurin ◽  
Walter J. Lafferty ◽  
Robert L. Sams
Keyword(s):  
High Resolution ◽  
Infrared Spectra ◽  
Ground State ◽  
Equilibrium Structure ◽  
Coriolis Interaction ◽  
Rotational Constants ◽  
Average Structures

The infrared spectra of two B type bands, ν2 and 2ν1, of 14N16O2 have been recorded under high resolution. Ground state combination differences from these bands have been combined with combination differences obtained in previous studies and eight pure rotational microwave transitions to yield improved ground state rotational constants. Upper state constants and band centers for the ν2 and 2ν1 bands are also reported. The 2ν1 band contains internal intensity anomalies believed to arise from a weak Coriolis interaction with the much stronger ν1 + ν3 band. Equilibrium rotational constants have been calculated. The equilibrium structure of the molecule is: rc = 1.1945 ± 0.0005 Å and Θc = 133.85 ± 0.10°. For the sake of comparison, effective, substitution, and average structures are also reported.

High resolution infrared spectrum of the ν2 + ν3 and ν1 + ν2 bands of ozone

1979 ◽  
Vol 75 (1) ◽  
pp. 103-110 ◽  
Author(s):  
A. Barbe ◽  
C. Secroun ◽  
P. Jouve ◽  
C. Camy-Peyret ◽  
J.M. Flaud
Keyword(s):  
High Resolution ◽  
Infrared Spectrum

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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