Abstract

The vibrational rotation spectrum of CO2 in the 1200–1430-cm−1 region has been studied at a 0.005-cm−1 resolution with a Fourier transform spectrometer. Measurements were made of line positions and strengths of the nonsymmetric CO2 species: 12C16O18O,12C16O17O, and 13C16O18O for the bands 10002–00001 and 10001–00001 and the π-π bands 11102–01101 and 11101–01101 for the 12C16O18O molecule. The line position measurements were analyzed to obtain values of band centers and upper and lower state rotational constants. The line strength data were analyzed to determined the vibrational band strengths and the coefficients of the F factors.

© 1985 Optical Society of America

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  1. D. Bailly, C. Rossetti, “12C16O18O: Analysis of Rovibrational Transitions OV3′⟶OV2′ (V3−1) (V2=0 and 1) Observed in High-Resolution Emission Spectra in the 4.5 μm Region,” J. Mol. Spectrosc. 105, 331 (1984).
    [CrossRef]
  2. A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
    [CrossRef]
  3. A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
    [CrossRef]
  4. G. Guelachvili, “High-Resolution Fourier Spectra of Carbon Dioxide and Three of its Isotopic Species near 4.3 μm,” J. Mol. Spectrosc. 79, 72 (1980).
    [CrossRef]
  5. M. P. Esplin, L. S. Rothman, “Spectral Measurements of High Temperature Isotopic Carbon Dioxide in the 4.3 μm Region,” J. Mol. Spectrosc. 100, 193 (1983).
    [CrossRef]
  6. M. P. Esplin, R. J. Huppi, G. A. Vanasse, “Spectral Measurements of High Temperature 13C16O2 and 13C16O18 in the 4.3-μm Region,” Appl. Opt. 21, 1681 (1982).
    [CrossRef] [PubMed]
  7. M. L. Hoke, J. H. Shaw, “Rotational Analysis of CO2 Bands near 4 μm,” Appl. Opt. 21, 935 (1982).
    [CrossRef] [PubMed]
  8. M. L. Hoke, J. H. Shaw, “Parameters of CO2 Bands near 3.6 μm,” Appl. Opt. 22, 328 (1983).
    [CrossRef] [PubMed]
  9. A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
    [CrossRef]
  10. C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
    [CrossRef]
  11. R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
    [CrossRef]
  12. Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
    [CrossRef]
  13. L. R. Brown, J. S. Margolis, R. H. Norton, B. D. Stedry, “Computer Measurements of Line Strengths with Application to the Methane Spectrum,” Appl. Spectrosc. 37, 287 (1983).
    [CrossRef]
  14. R. A. Toth, “Wavenumbers, Strengths and Self-Broadened Widths of CO2 at 3 μm,” J. Mol. Spectros. 53, 1 (1974).
    [CrossRef]
  15. G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
    [CrossRef]
  16. L. S. Rothman et al., “AFGL Atmospheric Absorption Line Parameters Compilation: 1982 Edition,” Appl. Opt. 22, 2247 (1983).
    [CrossRef] [PubMed]
  17. G. Guelachvili, “Experimental-Doppler-Limited Spectra of the v2 bands of H216O, H217O, H218O and HDO by Fourier-Transform Spectroscopy: Secondary Wavenumber Standards between 1066 and 2296 cm−1,” J. Opt. Soc. Am. 73, 137 (1983).
    [CrossRef]
  18. L. R. Brown, R. A. Toth, “The Comparison of the Frequencies of NH3, CO2, N2O, H2O, CO and CH4 as Infrared Calibration Standards,” J. Opt. Soc. Am. (submitted for publication).
  19. A. Chedin, “The Carbon Dioxide Molecule Potential, Spectroscopic, and Molecular Constants from its Infrared Spectrum,” J. Mol Spectrosc. 76, 430 (1979).
    [CrossRef]
  20. R. A. Toth, “Line Strengths of N2O in the 1120–1440-cm−1 Region,” Appl. Opt. 23, 1825 (1984).
    [CrossRef] [PubMed]
  21. D. E. Burch, D. A. Gryvnak, “Absorption of Infrared Radiant Energy by CO2 and H2O, V. Absorption by CO2 between 1100 and 1835 cm−1 (9.1–5.5μm),” J. Opt. Soc. Am. 61, 499 (1971).
    [CrossRef]

1984 (2)

D. Bailly, C. Rossetti, “12C16O18O: Analysis of Rovibrational Transitions OV3′⟶OV2′ (V3−1) (V2=0 and 1) Observed in High-Resolution Emission Spectra in the 4.5 μm Region,” J. Mol. Spectrosc. 105, 331 (1984).
[CrossRef]

R. A. Toth, “Line Strengths of N2O in the 1120–1440-cm−1 Region,” Appl. Opt. 23, 1825 (1984).
[CrossRef] [PubMed]

1983 (5)

1982 (3)

1980 (4)

C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
[CrossRef]

R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
[CrossRef]

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

G. Guelachvili, “High-Resolution Fourier Spectra of Carbon Dioxide and Three of its Isotopic Species near 4.3 μm,” J. Mol. Spectrosc. 79, 72 (1980).
[CrossRef]

1979 (1)

A. Chedin, “The Carbon Dioxide Molecule Potential, Spectroscopic, and Molecular Constants from its Infrared Spectrum,” J. Mol Spectrosc. 76, 430 (1979).
[CrossRef]

1978 (2)

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

1974 (1)

R. A. Toth, “Wavenumbers, Strengths and Self-Broadened Widths of CO2 at 3 μm,” J. Mol. Spectros. 53, 1 (1974).
[CrossRef]

1971 (1)

1969 (1)

G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
[CrossRef]

Anttila, R.

R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
[CrossRef]

Aoki, T.

G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
[CrossRef]

Bailly, D.

D. Bailly, C. Rossetti, “12C16O18O: Analysis of Rovibrational Transitions OV3′⟶OV2′ (V3−1) (V2=0 and 1) Observed in High-Resolution Emission Spectra in the 4.5 μm Region,” J. Mol. Spectrosc. 105, 331 (1984).
[CrossRef]

Baldacci, A.

A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
[CrossRef]

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

Bradley, L. C.

C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
[CrossRef]

Brown, L. R.

L. R. Brown, J. S. Margolis, R. H. Norton, B. D. Stedry, “Computer Measurements of Line Strengths with Application to the Methane Spectrum,” Appl. Spectrosc. 37, 287 (1983).
[CrossRef]

L. R. Brown, R. A. Toth, “The Comparison of the Frequencies of NH3, CO2, N2O, H2O, CO and CH4 as Infrared Calibration Standards,” J. Opt. Soc. Am. (submitted for publication).

Burch, D. E.

Chedin, A.

A. Chedin, “The Carbon Dioxide Molecule Potential, Spectroscopic, and Molecular Constants from its Infrared Spectrum,” J. Mol Spectrosc. 76, 430 (1979).
[CrossRef]

Chen, DA-WUN

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

Endo, Y.

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

Esplin, M. P.

M. P. Esplin, L. S. Rothman, “Spectral Measurements of High Temperature Isotopic Carbon Dioxide in the 4.3 μm Region,” J. Mol. Spectrosc. 100, 193 (1983).
[CrossRef]

M. P. Esplin, R. J. Huppi, G. A. Vanasse, “Spectral Measurements of High Temperature 13C16O2 and 13C16O18 in the 4.3-μm Region,” Appl. Opt. 21, 1681 (1982).
[CrossRef] [PubMed]

Freed, C.

C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
[CrossRef]

Fridovich, B.

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

Gryvnak, D. A.

Guelachvili, G.

Hoke, M. L.

Horota, E.

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

Huppi, R. J.

Kauppinen, J.

R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
[CrossRef]

Linden, L.

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

Malathy Devi, V.

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

Margolis, J. S.

Norton, R. H.

O'Donnell, R. G.

C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
[CrossRef]

Paso, R.

R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
[CrossRef]

Rao, K. N.

A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
[CrossRef]

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

Rinsland, C. P.

A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
[CrossRef]

Rossetti, C.

D. Bailly, C. Rossetti, “12C16O18O: Analysis of Rovibrational Transitions OV3′⟶OV2′ (V3−1) (V2=0 and 1) Observed in High-Resolution Emission Spectra in the 4.5 μm Region,” J. Mol. Spectrosc. 105, 331 (1984).
[CrossRef]

Rothman, L. S.

M. P. Esplin, L. S. Rothman, “Spectral Measurements of High Temperature Isotopic Carbon Dioxide in the 4.3 μm Region,” J. Mol. Spectrosc. 100, 193 (1983).
[CrossRef]

L. S. Rothman et al., “AFGL Atmospheric Absorption Line Parameters Compilation: 1982 Edition,” Appl. Opt. 22, 2247 (1983).
[CrossRef] [PubMed]

Saito, S.

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

Shaw, J. H.

Smith, M. A. H.

A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
[CrossRef]

Stedry, B. D.

Tanaka, M.

G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
[CrossRef]

Toth, R. A.

R. A. Toth, “Line Strengths of N2O in the 1120–1440-cm−1 Region,” Appl. Opt. 23, 1825 (1984).
[CrossRef] [PubMed]

R. A. Toth, “Wavenumbers, Strengths and Self-Broadened Widths of CO2 at 3 μm,” J. Mol. Spectros. 53, 1 (1974).
[CrossRef]

L. R. Brown, R. A. Toth, “The Comparison of the Frequencies of NH3, CO2, N2O, H2O, CO and CH4 as Infrared Calibration Standards,” J. Opt. Soc. Am. (submitted for publication).

Vanasse, G. A.

Yamamoto, G.

G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
[CrossRef]

Yoshida, K.

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

Appl. Opt. (5)

Appl. Spectrosc. (1)

IEEE J. Quantum Electron. (1)

C. Freed, L. C. Bradley, R. G. O'Donnell, “Absolute Frequencies of Lasing Transitions in Seven CO2 Isotopic Species,” IEEE J. Quantum Electron. QE-16, 1195 (1980).
[CrossRef]

J. Chem. Phys. (1)

Y. Endo, K. Yoshida, S. Saito, E. Horota, “The Microwave Spectrum of Carbon Dioxide—18O,” J. Chem. Phys. 73, 3511 (1980).
[CrossRef]

J. Mol Spectrosc. (4)

A. Baldacci, C. P. Rinsland, M. A. H. Smith, K. N. Rao, “Spectrum of 13C16O2 at 2.8 μm,” J. Mol Spectrosc. 94, 351 (1982).
[CrossRef]

A. Baldacci, V. Malathy Devi, DA-WUN Chen, K. N. Rao, B. Fridovich, “Absorption Spectrum of Carbon Dioxide at 4.3 μm,” J. Mol Spectrosc. 70, 143 (1978).
[CrossRef]

A. Baldacci, L. Linden, V. Malathy Devi, K. N. Rao, B. Fridovich, “Interpretation of the 12C16O2 Spectrum at 4.4 μm,” J. Mol Spectrosc. 72, 135 (1978).
[CrossRef]

A. Chedin, “The Carbon Dioxide Molecule Potential, Spectroscopic, and Molecular Constants from its Infrared Spectrum,” J. Mol Spectrosc. 76, 430 (1979).
[CrossRef]

J. Mol. Spectros. (1)

R. A. Toth, “Wavenumbers, Strengths and Self-Broadened Widths of CO2 at 3 μm,” J. Mol. Spectros. 53, 1 (1974).
[CrossRef]

J. Mol. Spectrosc. (4)

D. Bailly, C. Rossetti, “12C16O18O: Analysis of Rovibrational Transitions OV3′⟶OV2′ (V3−1) (V2=0 and 1) Observed in High-Resolution Emission Spectra in the 4.5 μm Region,” J. Mol. Spectrosc. 105, 331 (1984).
[CrossRef]

R. Paso, J. Kauppinen, R. Anttila, “Infrared Spectrum of CO2 in the Region of the Bending Fundamental v2,” J. Mol. Spectrosc. 79, 236 (1980).
[CrossRef]

G. Guelachvili, “High-Resolution Fourier Spectra of Carbon Dioxide and Three of its Isotopic Species near 4.3 μm,” J. Mol. Spectrosc. 79, 72 (1980).
[CrossRef]

M. P. Esplin, L. S. Rothman, “Spectral Measurements of High Temperature Isotopic Carbon Dioxide in the 4.3 μm Region,” J. Mol. Spectrosc. 100, 193 (1983).
[CrossRef]

J. Opt. Soc. Am. (2)

J. Quant. Spectrosc. Radiat. Transfer (1)

G. Yamamoto, M. Tanaka, T. Aoki, “Estimation of Rotational Line Widths of Carbon Dioxide Bands,” J. Quant. Spectrosc. Radiat. Transfer 9, 371 (1969).
[CrossRef]

Other (1)

L. R. Brown, R. A. Toth, “The Comparison of the Frequencies of NH3, CO2, N2O, H2O, CO and CH4 as Infrared Calibration Standards,” J. Opt. Soc. Am. (submitted for publication).

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Figures (1)

Fig. 1
Fig. 1

Slightly apodized observed spectra of CO2 in the 1340–1390-cm−1 region. The spectral resolution was 0.005 cm−1, cell length 433 m, and gas sample pressure 50 Torr at 296 K. The location of the band centers for the isotopic CO2 species is marked as well as impurity lines due to CH4 (dots) and H2O (open circles).

Tables (6)

Tables Icon

Table I Vibration-Rotation Transitions, Partition Functions (296 K), and Isotopic Abundances of CO2. QR and QV are the Rotational and Vibrational Partition Functions

Tables Icon

Table II Lower State Constants (cm−1)

Tables Icon

Table III Band Centers and Upper State Constants (cm−1)

Tables Icon

Table IV Strength Parameters and Standard Deviations σ Obtained from the Measurements. Sv in cm−2/atm at 296 K and Dipole Moment Matrix Element 1R1 in Debye

Tables Icon

Table V Comparison of Band Constants Obtained in This Work with Those Given in the 1982 AFGLa Compilation

Tables Icon

Table VI Observed and Calculated Line Positions and Strengths of CO2. Strengths in cm−2/atm at 296 K

Equations (13)

Equations on this page are rendered with MathJax. Learn more.

E ( V , J , l ) = G V + B V J ( J + 1 ) D V [ J ( J + 1 ) l 2 ] 2 + H V [ J ( J + 1 ) l 2 ] 3 ,
R ( J ) P ( J + 2 ) = B ( J 1 J 2 ) D [ ( J 1 l 2 ) 2 ( J 2 l 2 ) 2 ] + H [ ( J 1 l 2 ) 3 ( J 2 l 2 ) 3 ] ,
ν = ν 0 + E R E R E R = E ( V , J , l ) G V , E R = E ( V , J , l ) G V
S = ( ν / ν 0 ) S V L 2 exp ( E R / k T ) [ 1 exp ( ν / k T ) ] F / Q R ,
S V = 3056 | R | 2 ν 0 exp [ 1.4388 E ( V , J , l ) / T ] T Q V ,
F = [ 1 + a 1 m + a 2 J ( J + 1 ) ] 2 ,
L 2 = ( m 2 l 2 ) / | m | .
β = S { ( ν / ν 0 ) ( L 2 / Q R ) [ 1 exp ( ν / k T ) ] exp ( E R / k T ) } 1 .
β = S V F .
σ = [ N s ( S obs S cal S obs ) 2 N s ] 1 / 2 × 100
σ = [ N ν ( ν obs ν cal ) 2 N ν ] 1 / 2 ,
σ = [ Σ N S ( S obs S cal S cal ) 2 N S ] 1 / 2 × 100
σ = [ ( ν obs ν cal ) 2 / N ν N ν ] 1 / 2 × 1000

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