High resolution rotation–vibration Raman spectra of acetylene. II. The spectra of C2D2 and C2HD

1980 ◽  
Vol 58 (6) ◽  
pp. 912-920 ◽  
Author(s):  
E. Kostyk ◽  
H. L. Welsh
Keyword(s):  
High Resolution ◽  
Raman Spectra ◽  
Ground State ◽  
Multiple Reflection ◽  
Acetylene Molecule ◽  
Band Origin ◽  
Infrared Studies ◽  
Internuclear Distances ◽  
Raman Cell ◽  
Gas Pressures

The Raman spectra of gaseous C2D2 and C2HD were excited in a multiple-reflection Raman cell by a single-moded Ar+ laser and recorded photographically; the gas pressures were in the range, 130–200 Torr, and the spectral slit width was ~ 0.1 cm−1. The ν1, ν2, and ν41 bands of C2D2 and the ν1 and ν2 bands of C2HD were recorded. These were analyzed to give the band origin, ν0, and the upper state constants, B1 and D1; accurate infrared values of the ground state constants, B0 and D0, were assumed in the analyses. Values of the rotation–vibration interaction constants, αi, assembled from Raman and infrared studies of C2H2, C2D2, and C2HD, were used to calculate the equilibrium internuclear distances for the acetylene molecule: re(C—H) = 1.06250 ± 0.00010 and re(C≡C) = 1.20241 ± 0.00009 Å.

High resolution rotation–vibration Raman spectra of acetylene. I. The spectrum of C2H2

1980 ◽  
Vol 58 (4) ◽  
pp. 534-543 ◽  
Author(s):  
E. Kostyk ◽  
H. L. Welsh
Keyword(s):  
Raman Spectrum ◽  
High Resolution ◽  
Raman Spectra ◽  
Gas Pressure ◽  
Multiple Reflection ◽  
Slit Width ◽  
Lower State ◽  
Vibrational States ◽  
Band Origin ◽  
Raman Cell

The Raman spectrum of gaseous acetylene was excited in a multiple-reflection Raman cell by a single-moded Ar+ laser and recorded photographically; the gas pressure was 380 Torr and the spectral slit-width ~0.1 cm−1. The three Raman-active fundamentals ν1, ν2, and ν41 of C2H2 were analyzed to give the band origin, ν0, and the upper state constants, B1 and D1; accurate infrared values of the lower state constants, B0 and D0, were assumed in the analysis. The values of the constants for the ν2 band illustrate the accuracy obtained: ν0 = 1974.317(2), B1 = 1.170419(14), D1 = 1.579(18) × 10−6 cm−1. Five difference bands originating in transitions from the low-lying ν4 = 1 and ν5 = 1 vibrational states were also measured and analyzed.

High resolution rotation–vibration Raman spectra of benzene. I. The totally symmetric bands of C6H6

1978 ◽  
Vol 56 (7) ◽  
pp. 974-982 ◽  
Author(s):  
A. B. Hollinger ◽  
H. L. Welsh
Keyword(s):  
Raman Spectrum ◽  
High Resolution ◽  
Least Squares ◽  
Raman Spectra ◽  
Multiple Reflection ◽  
Slit Width ◽  
Linear Least Squares ◽  
Raman Cell ◽  
Least Squares Minimization

The Raman spectrum of benzene vapour was excited in a multiple reflection Raman cell by an Ar+ laser and was photographed with a spectral slit width of ~0.17 cm−1. All seven Raman-active fundamentals were observed. Analyses of the totally symmetric ν1 and ν2 bands are given in this article. About 150 maxima were observed for ν2 (C—C stretching) and ~100 for ν1 (C—H stretching); the latter was to some extent obscured by the ν15 band. These partially resolved rotational structures were analyzed by setting up suitable schemes of approximate assignments for the maxima and calculating the band constants by a linear least-squares minimization.

High resolution rotation–vibration Raman spectra of benzene. II. The doubly degenerate bands of C6H6

1978 ◽  
Vol 56 (11) ◽  
pp. 1513-1525 ◽  
Author(s):  
A. B. Hollinger ◽  
H. L. Welsh
Keyword(s):  
Raman Spectrum ◽  
High Resolution ◽  
Computer Program ◽  
Raman Spectra ◽  
Multiple Reflection ◽  
Slit Width ◽  
Molecular Constants ◽  
Raman Cell

The Raman spectrum of benzene vapour was excited in a multiple reflection Raman cell by an Ar+ laser and was photographed with a spectral slit width of ~ 0.15 cm−1. The results for the five doubly degenerate Raman-active fundamentals are given in this communication. More than 150 maxima were resolved in the ν17 band and the spectrum was analyzed with a computer program to give ν17 = 1177.776(10) cm−1, B1 – B0 = 1.00(4) × 10−4, C1 – C0 = −0.50(2) × 10−4 cm−1, and ζ17 = 0.010(1). About 60 maxima were recorded in the ν18 band; molecular constants were determined but with less precision than for ν17. The ν15 band (partially overlapped by ν1) and the (ν16, ν2 + ν18) Fermi diad showed resolved structure but no detailed analyses were possible. The ν11 band showed no resolved structure.

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: II. ROTATIONAL SPECTRA OF C6H6 AND C6D6, AND INTERNUCLEAR DISTANCES IN THE BENZENE MOLECULE

1954 ◽  
Vol 32 (5) ◽  
pp. 339-346 ◽  
Author(s):  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Raman Spectra ◽  
Benzene Molecule ◽  
Hexagonal Structure ◽  
Second Order ◽  
Rotational Constants ◽  
Moments Of Inertia ◽  
Rotational Spectra ◽  
Internuclear Distances

The pure rotational Raman spectra of benzene and benzene–d6 at a pressure of [Formula: see text] atm. were photographed in the second order of a 21 ft. grating. Both spectra were resolved and analyzed, yielding for the rotational constants the values B0(C6H6) = 0.18960 ± 0.00005 cm.−1, B0(C6D6) = 0.15681 ± 0.00008 cm.−1and, therefore, for the moments of inertia about an axis perpendicular to the figure axis[Formula: see text]If it is assumed that the benzene molecule has the planar hexagonal structure, the moments of inertia just given yield for the internuclear distances in benzene the values[Formula: see text]

HIGH-RESOLUTION RAMAN SPECTROSCOPY OF GASES: XVIII. PURE ROTATIONAL SPECTRA OF CYCLOPROPANE AND CYCLOPROPANE-d6

1964 ◽  
Vol 42 (11) ◽  
pp. 2259-2263 ◽  
Author(s):  
W. Jeremy Jones ◽  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Raman Spectra ◽  
Internuclear Distance ◽  
Ground State ◽  
Rotational Constants ◽  
Rotational Spectra ◽  
Resolution Study

A high-resolution study of the rotational Raman spectra of cyclopropane and cyclopropane-d6 has yielded the values 0.66962 ± 0.00020 cm−1 and 0.46079 ± 0.00015 cm−1 for their ground-state rotational constants. From these values the C–C internuclear distance is determined to be 1.514 ± 0.002 Å.

High resolution rotation–vibration Raman spectra of benzene. III. The spectrum of C6D6

1979 ◽  
Vol 57 (5) ◽  
pp. 767-774 ◽  
Author(s):  
A. B. Hollinger ◽  
H. L. Welsh ◽  
K. S. Jammu
Keyword(s):  
Raman Spectrum ◽  
High Resolution ◽  
Least Squares ◽  
Raman Spectra ◽  
Multiple Reflection ◽  
Slit Width ◽  
Molecular Constants ◽  
Least Squares Fit

The Raman spectrum of benzene-d6 vapour was excited in a multiple reflection cell by an Ar+ laser and was photographed with a spectral slit width of ~0.15 cm−1. Extensive structure (164 maxima) was observed for the ν2 (C—C stretching) fundamental but only the S branch (39 maxima) of the ν1 (C—D stretching) band was well-resolved. These totally symmetric bands were analysed and molecular constants determined from a least-squares fit. Three doubly degenerate bands were observed; ν15 and ν16 were unresolved, and in ν17 only 19 lines could be measured. Consequently, no detailed analyses were possible but the values of some molecular constants were estimated.

Ground state molecular parameters of phosphine, PH3, from the simultaneous analysis of the high-resolution infrared, microwave and submillimeterwave spectra

1985 ◽  
Vol 50 (11) ◽  
pp. 2480-2492 ◽  
Author(s):  
Soňa Přádná ◽  
Dušan Papoušek ◽  
Jyrki Kauppinen ◽  
Sergei P. Belov ◽  
Andrei F. Krupnov ◽  
...  
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Ground State ◽  
Unitary Transformation ◽  
Point Of View ◽  
Acoustic Detection ◽  
Molecular Parameters ◽  
Microwave Spectrometer ◽  
Fourier Transform Spectra ◽  
First Time

Fourier transform spectra of the ν2 band of PH3 have been remeasured with 0.0045 cm-1 resolution. Ground state combination differences from these data have been fitted simultaneously with the microwave and submillimeterwave data to determine the ground state spectroscopical parameters of PH3 including the parameters of the Δk = ± 3n interactions. The correlation between the latter parameters has been discussed from the point of view of the existence of two equivalent effective rotational operators which are related by a unitary transformation. The ΔJ = 0, +1, ΔK = 0 (A1 ↔ A2, E ↔ E) rotational transitions in the ν2 and ν4 states have been measured for the first time by using a microwave spectrometer and a radiofrequency spectrometer with acoustic detection.

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

HIGH RESOLUTION RAMAN SPECTROSCOPY OF GASES: I. EXPERIMENTAL METHODS

1954 ◽  
Vol 32 (5) ◽  
pp. 330-338 ◽  
Author(s):  
B. P. Stoicheff
Keyword(s):  
Raman Spectroscopy ◽  
High Resolution ◽  
Magnesium Oxide ◽  
Raman Spectra ◽  
Experimental Methods ◽  
Resolving Power ◽  
Polar Molecules ◽  
High Current ◽  
Rotational Constants ◽  
Moments Of Inertia

An apparatus for obtaining intense Raman spectra of gases excited by the Hg 4358 line is described. It consists of a mirror-type Raman tube irradiated by two high-current mercury lamps, completely enclosed in a reflector of magnesium oxide. The lamps are externally water-cooled along their entire length and emit sharp lines of high intensity.Rotational Raman spectra of gases at a pressure of 1 atm. have been photographed in the second order of a 21 ft. grating in exposure times of 6 to 24 hr. The Raman lines are sharp and a resolving power of about 100,000 has been achieved. It will be possible to resolve the rotational Raman spectra, and hence to evaluate the rotational constants of molecules having moments of inertia of up to 300 × 10−10 gm. cm.2 Such investigations will be especially useful for non-polar molecules.

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