Study of the Rotational Structure of the Forbidden ν8 Band of the C2H2D2-CIS Molecule

Russian Physics Journal - The spectrum of the cis-ethylene-d2 (C2H2D2-cis) molecule is recorded with a Bruker IFS 120 HR Fourier spectrometer in the region of 600–1200 cm–1 with...     

Study of the High-Resolution Fourier Spectrum of the ν9 and ν2 + ν7 + ν8 Bands of the С2D4 Molecule

Russian Physics Journal - Fourier spectra of the C2D4 molecule in the region 2250–3040 cm–1, in which the fundamental ν9 band and the combinational ν2 + ν7 + ν8 band...     

Study of a High-Resolution Spectrum of the 5ν2 Band of the H2S Molecule

Russian Physics Journal -     

Study of the Quantitative Absorption Characteristics in the υ2 Band of the 34SO2 Molecule

Russian Physics Journal - High-resolution infrared spectrum of the 34SO2 molecule is recorded with a Bruker IFS-120 HR Fourier spectrometer. More than 3000 transitions (with Jmax = 60 and $$...     

Analysis of the Ro-Vibrational Structure of the Fundamental Band ν6 of 13CHF3 Molecule

Optics and Spectroscopy - The high-resolution IR spectrum of the fundamental band ν6 of 13CHF3 molecule, located in the region of 450–750 cm–1, has been investigated. The spectrum...     

Analysis of the Vibrational-Rotational Structure of 2ν1, ν1 + ν3, and 2ν3 Bands of the D2Se Molecule

The absorption spectrum of the D₂Se molecule in the region of 2₁, ₁ + ₃, and 2₃ absorption bands is registered with a high-resolution Fourier spectrometer and is studied theoretically for a Hamiltonian model with allowance for resonant interactions among (200), (101), and (002) vibrational states.     

Study of the Absorption Characteristics of Transitions in the HOT 2υ2–υ2 Band of the 34SO2 Molecule

Russian Physics Journal - The absorption coefficient of the rovibrational 2υ2–υ2 band of the 34SO2 molecule localized in the region 350–850 cm–1 is studied for the first...     

High resolution study of the ν5 + ν12 band of C2H4

The combination band ν₅ + ν₁₂ of ethylene, C₂H₄, has been recorded for the first time with a high resolution Fourier transform spectrometer Bruker IFS 125HR. Assignments of transitions and preliminary rotational analysis are made. Two models (Hamiltonian of the isolated vibrational state and Hamiltonian that takes into account resonance interactions) are used. Influence of the local resonance interactions on the parameters and reproduction power of the models is discussed.     

Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

The water vapour line broadening and shifting for 97 lines in the ν₁ + ν₂ + ν₃ band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm^?1 and in a wide pressure range of H₂. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν₂, ν₁, and ν₃ vibrational bands are presented.     

High-Resolution Infrared Study of the ν11 Band of Allene

The high-resolution infrared spectrum of allene has been observed in the 280-380 cm⁻¹ region at a nominal resolution of 0.00125 cm⁻¹ using the IR beamline at the MAX-I electron storage ring in Lund. The spectrum shows the bending fundamental of the ν₁₁ band from which spectroscopic constants for the ν₁₁ level have been obtained. The accompanying hot band component 2ν₁₁²-ν₁₁¹ has also been assigned and analyzed.     

Tunable diode-laser spectra of the very weak ν10 absorption band of C2H3D

The C₂H₃D spectra from 730 to 780 cm⁻¹ have been investigated with a tunable diode laser spectrometer at Doppler-limited resolution and a wavenumber accuracy of better than 10⁻³ cm⁻¹. This resolution, combined with a long absorption path, has allowed the identification of K_a series lines belonging to the ν₁₀ level. A five-level combined analysis was performed, including previous data available for the energy states involved in the region around 1000 cm⁻¹.     

High resolution FTIR spectra and analysis of the ν11 fundamental and of the ν2 + ν11, ν5 + ν12 and ν7 + ν16 combination bands of 12C6D6

We report results from measurements of the high resolution FTIR spectrum for the fully deuterated benzene molecule C₆D₆ in the range 450–3500 cm^?1. Accurate spectroscopic constants have been obtained for the fundamental vibration ν₁₁ at 496.208 cm^?1 and improved ground state constants have been deduced from a fit of ground state combination differences. The J structure of the combination parallel bands ν₂ + ν₁₁ (at 2798.1 cm^?1), ν₅ + ν₁₂ (1802.5 cm_?1) and ν₇, + ν₁₆ (2619.3 cm^?1) of C₆D₆ has been analysed as well, from which improved values of the band origin and of the B and D _j constants of the excited states have been obtained. The strongest hot bands accompanying these parallel transitions have been assigned by means of the anharmonic force field calculated by Maslen et al. [1992, J. chem. Phys., 97, 4233]. In particular (ν₁₁ + ν₁₆) ? ν₁₆ is assigned to the band at 492.4 cm^?1 even though its shape is typical of a perpendicular transition (PAPE). New values for the ν₅, ν₁₂ and ν₁₆ band origins are determined from the band origins of combination bands and from calculated anharmonic constants. Numerous anharmonic constants are derived from the assignment of hot band and combination transitions.     

Pressure-Broadened Linewidth Measurements in the ν2Band of the CH3Radical

Pressure broadening coefficients for an infrared transition of the methyl radical have been measured for the first time. CH₃radicals, generated by pyrolyzing di-tert-butyl peroxide in a flow of either N₂or Ar, were probed using a tunable diode laser and a multipass absorption cell. The Lorentz half-width of theQ(6,6) line of the ν₂band of CH₃at 607.024 cm⁻¹was measured as a function of pressure at 295 K. The broadening coefficients (HWHM) areb(Ar) = 0.0310 ± 0.0012 cm⁻¹atm⁻¹andb(N₂) = 0.0390 ± 0.0020 cm⁻¹atm⁻¹. These coefficients are lower than those for CH₄–Ar, N₂broadening. This may be due to a lower polarizability or smaller effective hard collision diameter for CH₃relative to CH₄.     

Rotational analysis of the ν2 band of NH2D

High-resolution diode laser spectra and medium-resolution F-T spectra of deuterated ammonia have been obtained in the 700- to 1030-cm⁻¹ region. Out of about 800 lines measured by diode laser spectroscopy, approximately 500 lines have been assigned to the ν₂ transitions of NH₂D. The parameters for the ground and ν₂ states of NH₂D have been derived by the simultaneous analysis of the infrared and microwave data. The standard deviation for the IR data is ∼8 × 10⁻⁴ cm⁻¹. It is shown that the energy levels of NH₂D in the ν₂ state are heavily perturbed by inversion-rotation interaction and that it is necessary to include higher order inversion-rotation interaction terms to obtain a satisfactory fit of the observed data.     

High resolution vibration-rotation spectrum of the D2O molecule in the region near the 2ν1 + ν2 + ν3 absorption band

The high resolution Fourier transform spectrum of the D₂0 (ν = ν₁ + ν₂/2 + ν₃ = 3.5) polyad was analysed within the framework of the Hamiltonian model taking into account resonance interactions between the seven states (310), (211), (112), (013), (230), (131) and (032). Transitions belonging to the 2ν₁ + ν₂ + ν₃, 3ν₁ +ν₂ and 3ν₂ + 2ν₃ bands were assigned in the experimentally recorded spectrum. This provided the possibility of obtaining spectroscopic parameters of the ‘visible’ states (211), (310) and (032) and of estimating the band centres, and the rotational and resonance interaction parameters of the ‘dark’ states (112) and (131).     

Line intensities in the ν1 + 2ν2, 2ν2 + ν3, 2ν1, ν1 + ν3, 2ν3, and ν1 + ν2 + ν3 − ν2 bands of H216O,between 6300 and 7900 cm−1

Using Fourier transform spectra, the intensities of 428 weak lines belonging to the ν₁ + 2ν₂, 2ν₂ + ν₃, 2ν₁, ν₁ + ν₃, 2ν₃, and ν₁ + ν₂ + ν₃ − ν₂ bands of the H₂¹⁶O molecule have been measured, between 6300 and 7900 cm⁻¹, with an average uncertainty of 7%.     

Inversion doubling in the ν2 vibration-rotation band of NH2D and ND2H

This paper is concerned with an analysis of both ¹⁴NH₂D and ¹⁴ND₂H spectra obtained in the 730- to 1080-cm⁻¹ region with a long-path Fourier transform spectrometer. The assignment of the observed transitions together with a theoretical analysis of the vibration-inversion-rotation energy levels concerned with these transitions allows the first determination of the spectroscopic constants related to the symmetric and antisymmetric upper levels of the fundamental ν₂ band.     

Higher rotational lines in the ν2 fundamental of the H3+ molecular ion

By use of a new high-pressure hollow-cathode discharge cell and a Fourier transform spectrometer, many lines of the ν₂ fundamental band of H₃⁺ are observed in emission. These lines are discriminated from those of other species by pressure labeling, in which the relative intensities are studied as functions of the H₂ gas pressure in the cell. The H₃⁺ lines are found to persist to higher pressures than those of H atoms or H₂ or H₃ molecules. Practically all of the previously known lines of H₃⁺ are observed with this cell, and the measurements are extended to higher J because of the high rotational temperature of the H₃⁺. Absorption measurements of some high-J lines were also performed in this new cell. Altogether 113 lines of the ν₂ band of H₃⁺ with J′_max = 10 have been assigned, and 111 of them are fitted to 0.0654 cm⁻¹ with a 29-parameter effective Hamiltonian that uses a Padé formulation of the centrifugal distortion effects. Many of the higher rotational levels of ν₂ are affected by a Birss resonance with levels of ν₁. The fitted values ν₁ = 3175.0 cm⁻¹ and α₁₂ = 1.377 cm⁻¹ for the vibrational frequency and perturbation parameter are in reasonable agreement with ab initio values. Alternative fits using a vibration-rotation supermatrix model with a limited number of independent matrix elements are consistent with these assignments, but the quality of these fits degrades rapidly with increasing J′_max because the model does not describe centrifugal effects accurately.     

First high-resolution analysis of the ν15, ν12, ν5, ν10 and ν2 bands of oxirane

Fourier transform spectra of oxirane (ethylene oxide, c-C₂H₄O) have been recorded in the 730–1560 cm^?1 (6.4–13.7 μm) spectral region using a Bruker IFS125HR spectrometer at a resolution of 0.0019 cm^?1. A total of six vibration bands, ν₁₅, ν₁₂, ν₅, ν₃, ν₁₀ and ν₂, have been observed and analyzed. The corresponding upper state ro-vibrational levels were fit using Hamiltonian matrices accounting for various interactions. Satisfactory fits were obtained using the following polyads {15¹, 12¹, 5¹} and {10¹, 2¹} of interacting states. As a result, an accurate and extended set of Hamiltonian constants were obtained. The following band centers were derived: ν₀ (ν₁₅) = 808.13518(60) cm^?1, ν₀ (ν₁₂) = 822.27955(37) cm^?1, ν₀ (ν₅) = 876.72592(15), ν₀ (ν₃) = 1270.37032(10) cm^?1, ν₀ (ν₁₀) = 1471.35580(50) cm^?1 and ν₀ (ν₂) = 1497.83309(15) cm^?1 where the uncertainties are one standard deviation.