Absolute OCS wavenumbers and analysis of bands in the region of the lowest fundamental ν2

The high-resolution infrared spectrum of carbonyl sulfide (OCS) in the region 490–560 cm^?1 has been recorded with a Fourier transform spectrometer at a resolution of about 0.005 cm^?1. Measurements and analysis are given for the bands 01¹0 ← 00⁰0, 02²0 ← 01¹0, and 02⁰0 ← 01¹0 of the ¹⁶O¹²C³²S isotopic species and for 01¹0 ← 00⁰0 of the ¹⁶O¹²C³⁴S species.     

The Bending Vibrational Ladder of HCN by Hot Gas Emission Spectroscopy

High-resolution measurements have been made on the infrared emission spectrum of the doubly substituted HCN isotopomer, H¹³C¹⁵N, at temperatures on the order of 1370 K. The measurements cover the region 400-850 cm⁻¹ with a resolution (1/MOPD) of 0.006 cm⁻¹. We could assign hot bands with upper levels up to the 0 11¹¹ 0 state. The assignments have been verified for states up to v₂=5 by fitting with earlier room temperature absorption measurements of overtone and hot bands. All the measurements for H¹³C¹⁵N have been combined in a single least-squares fit that includes approximately 8670 rovibrational lines which have a root-mean-square deviation on the order of 0.000 33 cm⁻¹. The spectroscopic constants for the bending states v₂=1,…,11 are reported, as well as those for some combination states involving the two stretching modes.     

High resolution infrared spectrum of 13CS2 between 250 and 430 cm−1

The high resolution infrared spectrum of ¹³CS₂ between 250 and 430 cm^?1 has been studied with a Fourier transform spectrometer at a resolution of about 0.010 cm^?1. The following bands are analyzed: the bending fundamental 01¹0←00⁰0 of ¹³C³²S₂ and the associated “hot” bands 02²0←01¹0, 02⁰0←01¹0, 03³0←02²0, 03¹0←02⁰0, 03¹0←02²0, 11¹0←10⁰0, the difference band 10⁰0←01¹0 of ¹³C³²S₂, and the bending fundamental 01¹0←00⁰0 of ³²S¹³C³⁴S. The polynomial fits were used in the analyses. The rotational constants B and D together with the vibrational term values have been derived for the states involved. The l-type doubling constant q has been obtained for the Π-states 01¹0, 11¹0, and 03¹0 of ¹³C³²S₂.     

Millimeter-Wave and High-Resolution Infrared Spectra of Monoisotopic SCSe: Equilibrium, Ground State, and ν1, mν2, and nν3 Rovibrational Parameters

The Fourier transform infrared spectrum of monoisotopic SC⁸⁰Se has been investigated in the ν₂, ν₃, 2ν₂, 2ν₃, and ν₁ regions with a resolution between 3 and 4 × 10⁻³ cm⁻¹. In addition, the millimeter-wave spectrum has been studied in the region 150 to 320 GHz, and ground and ν₂ = 1 excited state transitions have been measured. Ground state constants, B₀ = 2043.285 4(4) MHz and D₀ = 146.53(5) Hz, have been determined from a merge of millimeter-wave data and ground state combination differences spanning J values up to 77 and 143, respectively. The band centers ν₂ = 352.341 075(9) cm⁻¹ and ν₃ = 505.480 06(5)cm⁻¹ have been determined. The rovibrational parameters of numerous overtone and combination levels (ν₁ν^l2₂ν₃) = 02⁰0, 02²0, 03¹0, 03³0, 04⁰0, 04²0, 00⁰2, and 00⁰3 have been obtained from polynomial analyses whose standard deviations ranged from 0.7 to 3.5 × 10⁻⁴ cm⁻¹. The 10⁰0 level, ν_eff 1435.840 cm⁻¹, is anharmonically perturbed by the 04⁰0 level, with an avoided crossing at J = 55, and W₁₂₂₂₂ = 0.963 09(1) cm⁻¹. Transitions to both the upper (E⁺) and lower (E⁻) sublevels of the dyad were observed for 1 ≤ J′ ≤ 117 and 4 ≤ J′ ≤ 171, respectively, and the deperturbed wavenumbers ν₁ = 1435.542 76(2) and 4ν⁰₂ = 1432.725 00(3) cm⁻¹ were derived. Furthermore, a local crossing of the E⁻ and 04²0 levels involving l-type resonance was observed at J = 91.     

Determination of the Splitting of the 6a0 and 6b0 Bands of C-Hexadeuterobenzene in a Supersonic Jet

By using resonance-enhanced two-photon ionization, rotationally resolved spectra of the 6¹₀ band of ¹²C₆D₆ and (¹³C¹²C₅D₆ molecules have been obtained for the first time at a rotational temperature of 0.7 K in a pulsed supersonic beam. From the former, the values of B″ = 0.1573 ± 0.0008 cm⁻¹, B′ = 0.1508 ± 0.0008 cm⁻¹, and ξ′ = −0.412 ± 0.050 have been derived for rotational and Coriolis constants in the lower and upper levels of ¹²C₆D₆. Also, the spectra corresponding to ¹²C₆H₆ and ¹³C¹²C₅H₆ have been measured and the values B″ = 0.1892 ± 0.0008 cm⁻¹, B′ = 0.1815 ± 0.0008 cm⁻¹, and ξ′ = −0.586 ± 0.050 have been obtained for ¹²C₆H₆, in agreement with previous results. Rotational constants of ¹³C labeled benzene molecules have been geometrically deduced from the constants obtained. Experimental isotopic shifts of the vibronic origins of the 6a¹₀ and 6b¹₀ bands have been determined. There is agreement with previous ¹³C-benzene-h₆ data. The present results are −0.91 ± 0.05 and 3.09 ± 0.05 cm⁻¹ for ¹³C¹²C₅D₆ and −1.64 ± 0.05 and 2.64 ± 0.05 cm⁻¹ for ¹³C¹²C₅H₆. The splittings of vibrational modes 6b and 6a in the ¹B_2u state are 4.00 ± 0.10 cm⁻¹ for ¹³C¹²C₅D₆ and 4.28 ± 0.10 cm⁻¹ for ¹³C¹²C₅H₆.     

Laser Stark spectroscopy of DCN and DC15N

Using a CO laser, laser Stark resonance spectra were measured for the CN stretching fundamentals (the 00⁰1-00⁰0 bands) of D¹²C¹⁴N and D¹²C¹⁵N near 1925 cm^?1. Laser Stark resonances were also measured for the hot band 01¹1-01¹0 of D¹²C¹⁴N. In addition to accurately determining the band centers, dipole moments are given for the different vibrational states involved.     

Vibration-rotation bands of isotopic carbon disulfide at 4.6 μm

The 10⁰1-00⁰0 bands of ¹²C³⁴S₂ and ¹³C³⁴S₂ have been measured with a resolution of 0.03 cm^?1. The following “hot” bands associated with this transition were also measured and analyzed: 11¹1-01¹0, 20⁰1–10⁰0 for both isotopic forms. For ¹²C³⁴S₂, the Δ-Δ transition 12²1–02²0 has also been observed. In addition, the 10⁰1-00⁰0 bands of the isotopic species ¹²C³²S³⁴S and ¹²C³³S³⁴S were measured.     

Infrared Transitions of HCN and HCN between 500 and 10 000 cm

We have measured the Fourier transform spectrum (FTS) of two isotopomers of hydrogen cyanide (H¹²C¹⁴N and H¹²C¹⁵N) from 500 to 10 000 cm⁻¹. The infrared data have been combined with earlier published microwave and submillimeter-wave measurements. From this analysis new vibration–rotation energy levels and constants are given, based on the observation of a number of new vibrational levels, especially for H¹²C¹⁵N. The Coriolis interaction involving Δv₃= −1, Δv₂= 3, and Δl= ±1 has been observed for a great many levels and in some cases the assignments of laser transitions allowed by this interaction are more clearly shown. New vibration–rotation constants are given that allow one to predict the transition wavenumbers for most of the transitions below 10 000 cm⁻¹with accuracies of about 0.5 cm⁻¹or better. Values are given for the power series expansion of thel-type resonance constants and for the centrifugal distortion constants, as well as the usual vibrational and rotational constants.     

High resolution infrared spectra of isotopic carbon disulfide: The 2ν1 + ν3 band

The 20⁰1-00⁰0 bands of ¹²C³⁴S₂ and ¹³C³⁴S₂ have been measured with a resolution of 0.03 cm^?1. The following “hot” bands associated with this transition were also measured and analyzed: 21¹1?01¹0, 30⁰1–10⁰0 for both the isotopic forms. For ¹²C³⁴S₂, we have also recorded the Δ-Δ transition 22²1–02²0. In addition, the 20⁰1-00⁰0 bands of the isotopic species ¹²C³²S³⁴S were measured.     

Infrared spectra of CS2: Measurement of “hot” bands associated with the 2325 cm−1 and 2962 cm−1 bands

The 12⁰1-00⁰0 and 02⁰1-00⁰0 transitions of CS₂ have been measured with a resolution of 0.025 cm^?1. The following “hot” bands associated with these transitions were also measured 13¹1?01¹0, 22⁰1? 10⁰0, 14⁰1?02⁰0, 14²1?02²0, 03¹1?01¹0, 12⁰1?10⁰0, 04⁰1?02⁰0, 04²1?02²0, 13¹1?11¹0, and 22⁰1?20⁰0. Improved rotational constants are given for the ground state and the first bending state. A consistent set of band constants is given for all the above vibrational transitions.     

Line intensities of CO2 in the 2·7 micron region

Individual line intensities have been measured at 0·025 cm^?1 resolution and low pressures for the two strong Σ-Σ bands of C¹²O₂¹⁶ near 2.7 microns, as well as for their associated Π-Π hot-bands. Values of the rotationless dipole-moment matrix elements and vibration-rotation interaction coefficients are reported along with total band intensities. Results for the latter in cm^?2 atm^?1 at 296°K are: 25·7, 1·96, 39·3 and 3·23 for the 02⁰1-00⁰0, 03¹1-01¹0, 10⁰1-00⁰0, and 11¹1-01¹0 bands, respectively.     

Waveguide and diode heterodyne measurements with CO2 laser and assignment of the CW FIR laser emission of OCS

Heterodyne spectra of carbonyl sulfide have been obtained with saturation in a CO₂ waveguide laser and without saturation with a diode laser. The absolute uncertainties of the measured positions lie between 10⁻⁴ and 7 × 10⁻⁶ cm⁻¹. The CW submillimeter laser line of OCS at 378 μm has been assigned to the J = 65 → 64 transition in the 02²0e state of ¹⁶O¹²C³²S, with a pumping through the R(64) line of 02²0e ← 00⁰0, a Δ-Σ transition weakly allowed by the l-type resonance.     

Laser Stark spectroscopy of FCN

Using a CO₂ laser, Stark shifted resonances have been measured for the CF stretching fundamental (ν₃) of FCN near 9.3 μm, and for two nearby “hot” bands. The band centers measured are 1076.492007 ± 0.000013 cm^?1 for 00⁰1-00⁰0, 1085.741046 ± 0.000050 cm^?1 for 01¹1-01¹0, and 1091.16222 ± 0.00015 cm^?1 for 02⁰1-02⁰0. The ground state dipole moment of FCN is found to be 2.1203 ± 0.0010 D and dipole moments are also given for the other states observed. Values are given for the rotational constant and l-doubling constant for the 01¹1 state.     

Line intensities of Co2 in the 2.0 micron region

The line intensities of the three δ-δ bands of CO₂ and their associated Π-Π hot bands in the 2.0 υ region have been measured using a combination of long optical paths and low sample pressures with high resolution (0.035 cm^-1). These intensities yield total band strengths of 0.200, 0.969, 0.288, 0.0017, 0.062 and 0.028 cm^-2 atm^-1 at 296 K for the 04⁰1-00⁰0, 12⁰1-00⁰0, 20⁰1-00⁰, 05¹1-01¹0, 13¹1-01¹0 and 21¹1-01 ¹0 bands, respectively. The rotationless dipole moment matrix element and the German-Wallis coefficients are also determined for each band.     

A new electronic transition of antimony chloride in the visible region

The emission spectrum of SbCl has been photographed at high resolution in the region 400 to 640 nm. In addition to bands of two previously reported transitions in this region, A₁-X and A₂-X, 36 bands of a new system have been identified. A vibrational analysis has been made with ν₀₀ ≈ 20 679 cm⁻¹, and 7 of the bands have been rotationally analyzed. The electronic transition has ΔΩ = 0 with lower state constants which match published data for the ground state X³Σ⁻(0⁺). The upper state is characterized by the following ¹²¹Sb³⁵Cl molecular parameters: B′₀ = 0.0922 cm⁻¹, D′₀ = 3.1 × 10⁻⁸ cm⁻¹.     

High-resolution synchrotron far-infrared spectroscopy of acrolein: The vibrational levels below 700 cm

The far-infrared spectrum of acrolein, CH₂CHCHO, is studied in the 100–360 cm⁻¹ region using continuum radiation from a synchrotron source. The combination of a very high resolution spectrometer, a long absorption path, and a low sample pressure, yields observed line widths of less than 0.0008 cm⁻¹. Observation of the ν₁₈ (157.9 cm⁻¹), and ν₁₃ (323.8 cm⁻¹) fundamental bands, together with six hot bands in the same regions, gives information on eight low-lying vibrational states of the molecule, including the Fermi and Coriolis interactions among them. Combining the present assignments with previous data on the ν₁₂ (564.34 cm⁻¹) and ν₁₇ (593.08 cm⁻¹) fundamental bands, all ten excited vibrational levels below 700 cm⁻¹ are analyzed in terms of one 1-state fit, two 2-state fits, and one 5-state fit.     

High-resolution spectroscopy of 16 bands of OCS in the region 1975–2140 cm−1 for diode laser calibration

The spectrum of OCS with natural isotopic abundances has been measured in the 1975- to 2140-cm^?1 region with near-Doppler-limited resolution using a Fourier transform spectrometer. Sixteen bands have been analyzed, including the following five bands for the first time at high resolution:

     

18.

High-resolution infrared spectrum of the 859- and 1711-cm−1 bands of carbonyl sulfide (OCS)     

Arthur G. Maki  Wm.Bruce Olson  Robert L. Sams 《Journal of Molecular Spectroscopy》1980,81(1):122-138

The ν₁ and 2ν₁ bands of OCS have been measured using grating spectrometers and a tunable diode laser spectrometer. Preliminary wavenumbers for OCS absorption lines useful for calibrating tunable laser systems are given for the wavenumber intervals 825 to 885 cm^?1 and 1665 to 1737 cm^?1. Measurements and an analysis are given for the bands 10⁰0-00⁰0, 11¹0-01¹0, 20⁰0-00⁰0, 21¹0-01¹0, and 30⁰0-10⁰0 of the ¹⁶O¹²C³²S isotopic species and for the 20⁰0-00⁰0 band of the ¹⁶O¹³C³²S and ¹⁶O¹²C³⁴S species. Effective band constants are given for these bands.     

19.

The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm     

F. Hegelund  R. Wugt Larsen  M.H. Palmer 《Journal of Molecular Spectroscopy》2005,229(2):244-256

The Fourier transform gas-phase IR spectrum of isoxazole, C₃H₃NO, between 550 and 1700 cm⁻¹ was measured with a resolution of ca. 0.003 cm⁻¹. Ten fundamental bands in the region 800-1700 cm⁻¹ have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved ν₁₄(A″) fundamental band has been located at 897.5(5) cm⁻¹ from its perturbation effects on the neighboring fundamentals.     

20.

Emission spectrum of CO₂ in the 9.6 μm region     

Janine Dupre-Maquaire  Pierre Pinson 《Journal of Molecular Spectroscopy》1976,62(2):181-191

The emission spectrum of ¹²C¹⁶O₂ in the 9.6 μm region has been observed with a high resolution spectrometer. The 00⁰-02⁰0 transition appears with a high intensity. Some additional transitions have also been observed and effective rotational constants for the corresponding bands have been calculated. Because of the overlapping of some “hot” lines with the principal ones, care has to be taken in using the 00⁰1–02⁰0 transition as reference for calibration of high resolution spectra.     

16O13C32S	1000-0000	2009.228 cm?1
16O13C32S	1110-0110	2002.427 cm?1
18O12C32S	1000-0000	2026.147 cm?1
16O12C32S	0400-0000	2104.828 cm?1
16O12C32S	0510-0110	2115.169 cm?1

High-resolution infrared spectrum of the 859- and 1711-cm−1 bands of carbonyl sulfide (OCS)

The ν₁ and 2ν₁ bands of OCS have been measured using grating spectrometers and a tunable diode laser spectrometer. Preliminary wavenumbers for OCS absorption lines useful for calibrating tunable laser systems are given for the wavenumber intervals 825 to 885 cm^?1 and 1665 to 1737 cm^?1. Measurements and an analysis are given for the bands 10⁰0-00⁰0, 11¹0-01¹0, 20⁰0-00⁰0, 21¹0-01¹0, and 30⁰0-10⁰0 of the ¹⁶O¹²C³²S isotopic species and for the 20⁰0-00⁰0 band of the ¹⁶O¹³C³²S and ¹⁶O¹²C³⁴S species. Effective band constants are given for these bands.     

The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm

The Fourier transform gas-phase IR spectrum of isoxazole, C₃H₃NO, between 550 and 1700 cm⁻¹ was measured with a resolution of ca. 0.003 cm⁻¹. Ten fundamental bands in the region 800-1700 cm⁻¹ have been analyzed by the Watson Hamiltonian model to yield upper state spectroscopic constants. A number of local resonances have been identified in the bands and explained qualitatively, and the unobserved ν₁₄(A″) fundamental band has been located at 897.5(5) cm⁻¹ from its perturbation effects on the neighboring fundamentals.     

Emission spectrum of CO2 in the 9.6 μm region

The emission spectrum of ¹²C¹⁶O₂ in the 9.6 μm region has been observed with a high resolution spectrometer. The 00⁰-02⁰0 transition appears with a high intensity. Some additional transitions have also been observed and effective rotational constants for the corresponding bands have been calculated. Because of the overlapping of some “hot” lines with the principal ones, care has to be taken in using the 00⁰1–02⁰0 transition as reference for calibration of high resolution spectra.