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.

Vibration-rotation bands of monodeuteroacetylene and the molecular dimensions

1956 ◽  
Vol 234 (1198) ◽  
pp. 306-317 ◽  
Keyword(s):  
High Resolution ◽  
Ground State ◽  
Fermi Resonance ◽  
Rotational Constants ◽  
Bond Lengths ◽  
Vibrational Levels ◽  
Vibration Rotation ◽  
Molecular Dimensions

Some vibration-rotation bands of monodeuteroacetylene have been measured with high resolution. Values have been derived for the coefficients α i relating the rotational constants in different vibrational levels, as follows: α 2 = + 0⋅00439, α 3 = + 0⋅00638, α 4 = — 0⋅0032 2 , α 5 = — 0⋅0011. Using the value B 00000 = 0⋅9910 5 cm -1 , also determined from many bands, a new value, B e = 0⋅9948, has been obtained leading to new estimates for the bond lengths r e CH = 1⋅058 Å, and r e C≡C = 1⋅205 0 . The l -doubling coefficient has been determined in two states, namely, q 00010 = 0⋅0056 and q 00003 = 0⋅0072. In the ground state the results are in accordance with a centrifugal stretching coefficient D = 0⋅7 x 10 -6 , but in some higher levels a markedly different value is derived, which may, however, arise through the effects of Fermi resonance.

Microwave and high resolution infrared spectra of vinyl chloride, ab initio anharmonic force field and equilibrium structure

2005 ◽  
Vol 232 (2) ◽  
pp. 174-185 ◽  
Author(s):  
J. Demaison ◽  
H. Møllendal ◽  
A. Perrin ◽  
J. Orphal ◽  
F. Kwabia Tchana ◽  
...  
Keyword(s):  
High Resolution ◽  
Force Field ◽  
Ab Initio ◽  
Vinyl Chloride ◽  
Infrared Spectra ◽  
Equilibrium Structure ◽  
Anharmonic Force

Vibration–rotation spectra of nitrous acid, HONO

1985 ◽  
Vol 63 (7) ◽  
pp. 962-965 ◽  
Author(s):  
C. M. Deeley ◽  
I. M. Mills ◽  
L. O. Halonen ◽  
J. Kauppinen
Keyword(s):  
Fourier Transform ◽  
Excited State ◽  
Standard Deviation ◽  
High Resolution ◽  
Infrared Spectra ◽  
Ground State ◽  
Nitrous Acid ◽  
Vibration Rotation ◽  
Line Positions ◽  
Better Than

High-resolution Fourier-transform infrared spectra have been recorded and analyzed for the ν4 ν5, and ν6 fundamental bands of trans-HONO, and for the ν4 fundamental of cis-HONO. The spectral resolution was better than 0.01 cm−1, and the rotational structure has been analyzed to give improved ground-state and excited-state rotational constants, with a standard deviation of the fit to the observed line positions of around 0.0006 cm−1. Two Coriolis interactions have been analyzed between the ν5 and ν6 bands of trans-HONO.

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: IX. SPECTRA OF H2, HD, AND D2

1957 ◽  
Vol 35 (6) ◽  
pp. 730-741 ◽  
Author(s):  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Power Series ◽  
Infrared Spectra ◽  
Ground State ◽  
Power Series Expansion ◽  
Experimental Accuracy ◽  
Vibrational Bands ◽  
Complete Set ◽  
Electronic Ground

The pure rotational lines and the Q branch lines of the 1–0 vibrational bands of H2, HD, and D2 have been photographed with a 21 ft. grating spectrograph. From these spectra, a complete set of constants for the ν = 0 and 1 levels of all three molecules have been determined. When these constants are combined with Herzberg's results of the forbidden infrared spectra of H2 and HD they lead to improved values of the electronic ground state constants of H2 and HD. The leading terms in the Dunham power series expansion of the potential are calculated for H2 and HD and are found to be mutually consistent. The isotopic relations are obeyed within experimental accuracy, and the small constants De, Be, and He, are in agreement with values given by theoretical formulae.

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: XII. ROTATIONAL SPECTRA OF C2H4 AND C2D4 AND THE STRUCTURE OF THE ETHYLENE MOLECULE

1959 ◽  
Vol 37 (6) ◽  
pp. 703-721 ◽  
Author(s):  
J. M. Dowling ◽  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Electron Diffraction ◽  
Ground State ◽  
Structural Parameters ◽  
Electron Diffraction Data ◽  
Rotational Constants ◽  
Ethylene Molecule ◽  
Rotational Spectra ◽  
Asymmetric Top

The pure rotational Raman spectra of C2H4 and C2D4 were photographed in the second order of a 21-ft grating. The resolution achieved was such that several lines due to single transitions were observed (and identified) in the spectra of both molecules. An analysis of these lines based on the non-rigid asymmetric top yielded the following rotational constants for the ground states:[Formula: see text]The structural parameters obtained from these constants are r0(C=C) = 1.339 ± 0.002 Å, r0(C—H) = 1.086 ± 0.003 Å, and [Formula: see text]. These values are in agreement with the recent preliminary results of the electron diffraction data. There is also agreement between the above values and those obtained from a recent study of the rotation–vibration spectra of C2H4 and C2D4, although the agreement between the ground state rotational constants is not as satisfactory.

scholarly journals Perturbation activated transitions in the high resolution infrared spectrum of C2H6: rotational constants and torsional splitting in the ground state

2007 ◽  
Vol 105 (5-7) ◽  
pp. 733-740 ◽  
Author(s):  
F. Lattanzi ◽  
C. Di Lauro ◽  
V.-M. Horneman ◽  
M. Herman ◽  
J. Vander Auwera
Keyword(s):  
High Resolution ◽  
Infrared Spectrum ◽  
Ground State ◽  
Rotational Constants

High-resolution vacuum ultraviolet laser spectroscopy of the C 0+u ← X 0+g transition of Xe2

2004 ◽  
Vol 82 (6) ◽  
pp. 750-761 ◽  
Author(s):  
A Wüest ◽  
U Hollenstein ◽  
K G de Bruin ◽  
F Merkt
Keyword(s):  
High Resolution ◽  
Laser Spectroscopy ◽  
Interaction Potential ◽  
Ground State ◽  
Vacuum Ultraviolet ◽  
Second Virial Coefficient ◽  
Chem Phys ◽  
Rotational Constants ◽  
Ultraviolet Laser ◽  
Vacuum Ultraviolet Laser

Rotationally resolved (1 + 1′), resonance-enhanced, two-photon ionization spectra of the C 0+u ← X 0+g transition of several isotopomers of Xe2 have been recorded. Rotational constants have been determined for the v′ = 14–26 levels of the C 0+u Rydberg state and the v′′ = 0 and 1 levels of the X 0+g ground state, and band origins have been determined with an absolute accuracy of 0.015 cm–1 for the transitions to the v′ = 14–26 levels of the C 0+u state of the 129Xe2, 129Xe–132Xe, and 131Xe–136Xe isotopomers. The equilibrium internuclear separation of the X 0+g ground state (Re = 4.3773(49) Å) was determined from the rotational constants of the v′′ = 0 and 1 levels. The analysis of the isotopic shifts of the band origins enabled the confirmation of the absolute numbering of the vibrational levels of the C 0+u state determined by Lipson et al. (R.H. Lipson, P.E. Larocque, and B.P. Stoicheff. J. Chem. Phys. 82, 4470 (1985)). A semiempirical interaction potential for the X 0+g ground state was derived in a nonlinear fitting procedure using the present spectroscopic results, the positions of the v′′ = 2–9 levels determined by Freeman et al. (D.E. Freeman, K. Yoshino, and Y. Tanaka. J. Chem. Phys. 61, 4880 (1974)) and experimental values for the second virial coefficient. The interaction potential is similar to previous semiempirical potentials but the dissociation energy (De = (196.1 ± 1.1) cm–1) differs from the value of 183.1 cm–1 determined in the latest ab initio calculation (P. Slavíček, R. Kalus, P. Paška, I. Odvárková, P. Hobza, and A. Malijevský. J. Chem. Phys. 119, 2102 (2003)). Key words: high-resolution vacuum ultraviolet laser spectroscopy, rare gas dimers and their cations, photoionisation, Xe2, rotationally resolved electronic spectrum.

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