High-resolution Q-branch spectra of the ν2 + ν7 bands of C3O2 in the 12 u̧m region

Weber, W. H.; Aldridge, J. P.; Flicker, H.; Nereson, N. G.; Filip, H.; Reisfeld, Martin J.

doi:10.1016/0022-2852(77)90286-7

Cited by 15 publications

(3 citation statements)

References 11 publications

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“…(2~~1 + ~2) -v2 = 77.0 cm-', (2v"r+ ~2) -(2v2r + ~2) = 6.5 cm-', and B(2& + vp) = 0.075928 cm-'. The first of these numbers was determined from a preliminary high resolution Raman spectrum by Brodersen (13) and the last two from diode laser spectra of the vz + 2v2r +-vlr and v:, + 2v"r t v*r Q branches (14). The resulting potential constants were B.…”

Section: G77734mentioning

confidence: 99%

The infrared spectrum of C3O2

Peters¹,

Weber²,

Maker³

1977

Journal of Molecular Spectroscopy

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The 3v*r,3&, and 4~5 hot bands of the ~4 fundamental of CaOe in the 1580 cm-1 region were analyzed from tunable diode laser spectra and the ground state to VP + 2~~7 band at 1644 cm-r from Fourier transform spectra (FTS). The molecular constants for all of the VP 1 +-0 bands as well as the intensity of the VP + 2& sum band relative to the VI fundamental were in agreement with the predictions of the model of Weber and Ford. FTS spectra at 0.05 cm-r resolution were obtained of the sum and difference bands of ~2 with ~7 in the 750-900 cm-r region. Sharp Q branches occur for each ~7 state in the sum bands, but only a number of R-branch bandheads and no recognizable Q branches in the difference bands. Assignments of the sum band Q branches through ~7 = 6 were made and molecular constants were determined for the ~2 + Y+ +-0 transition at 819.7 cm-*. The Y'I potential function in the vz = 1 state was found to have a 1.2 cm-* barrier with a minimum at (x = 4.9", where 20! is the angular deviation from linearity. The Q-branch positions predicted from the calculated energy levels fit those observed within several cm-r. I. INTRODUCTION Measurements with tunable diode lasers in the region of absorption by the v4 fundamental of GO2 between 1565 and 1600 cm-' were recently reported (1). Some six overlapping bands having Pand R-branch structures indicative of a linear molecule were analyzed. The v4 fundamental was identified as being centered at 1587.39 cm-'. The five other bands were labeled as "hot bands" involving the excited states of the vr bending mode: 114, 2~~1, and 2~~7. The extremely low frequency of the VT vibration, about 18-19 cm-', results in an appreciable population in many of the excited states of ~7. Our early attempts to identify series of lines for higher excited states of vr were fruitless. There were a multitude of weaker lines, but we could not recognize any complete Pand R-branch series. More recently, vibration-rotation energy levels for the vr mode have been given by Weber and Ford (2) assuming a simple model of C302 : rigid O-CC bonds fixed at 180" and an anharmonic potential for the VT vibration. The parameters in the model were fixed by three quantities determined from experiments: the rotational constant B in

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Section: G77734mentioning

confidence: 99%

The infrared spectrum of C3O2

Peters¹,

Weber²,

Maker³

1977

Journal of Molecular Spectroscopy

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“…For liquids, where the rotational motion is assumed to be quenched, a classical average of the four fold product of direction cosines is appropriate in evaluating x(3). For forward scattering they show that the Raman intensity is proportional to 274 -I S 12 -3 260 + ~ 2,) + 2 2e 2 a a RAM 9 Ya~RAM 15 Ys RAM (7. YURATICH and HANNA [7.…”

Section: Orientation Averaging and Polarization Behaviormentioning

confidence: 99%

Raman Spectroscopy of Gases and Liquids

Weber¹

1979

Topics in Current Physics

125

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“…Oxocarbons play an important role in many chemical processes, such as the earth’s atmosphere and the interstellar medium. , In recent years, because of their applications in battery sciences and conducting polymers compounds, spectroscopic detection and characterization of this class of species and corresponding ions have attracted increasing interest. − Among the small oxocarbon molecules, carbon suboxide (C 3 O 2 ) has been studied both experimentally − and theoretically − to reveal its structure, ground-state potential energy surface, and spectroscopic properties. The ground state of C 3 O 2 has proven to be quasi-linear with a bent-to-linear barrier of only ∼18 cm –1 .…”

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confidence: 99%

Photoelectron Spectroscopy Confirms the Gas-Phase Stability of the C₃O₂^– Anion

Feng,

Li,

Liu

et al. 2023

J. Phys. Chem. Lett.

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The carbon suboxide anion with an asymmetric zigzag structure, C 3 O 2 − , which was recently characterized in a solid neon matrix, has not been observed in the gas phase. Here, we have experimentally generated C 3 O 2 − in a supersonic plasma jet expansion and studied it by negative ion photoelectron spectroscopy. A spectral analysis based on the calculated Franck−Condon factors, in combination with quantum chemical calculations, has for the first time yielded a determination of the electron affinity of the neutral carbon suboxide, EA = +0.48(8) eV. Molecular orbital (MO) analysis indicates that, upon linear-to-zigzag geometric change, additional σ−π MO mixing significantly reduces the energy of the singly occupied MO of C 3 O 2 − and thus stabilizes the negative ion in the gas phase. This work provides a benchmark understanding of the gas-phase stability of the C 3 O 2 − anion.

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High-resolution Q-branch spectra of the ν2 + ν7 bands of C3O2 in the 12 u̧m region

Cited by 15 publications

References 11 publications

The infrared spectrum of C3O2

The infrared spectrum of C3O2

Raman Spectroscopy of Gases and Liquids

Photoelectron Spectroscopy Confirms the Gas-Phase Stability of the C₃O₂^– Anion

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High-resolution Q-branch spectra of the ν2 + ν7 bands of C3O2 in the 12 u̧m region

Cited by 15 publications

References 11 publications

The infrared spectrum of C3O2

The infrared spectrum of C3O2

Raman Spectroscopy of Gases and Liquids

Photoelectron Spectroscopy Confirms the Gas-Phase Stability of the C3O2– Anion

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Product

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Photoelectron Spectroscopy Confirms the Gas-Phase Stability of the C₃O₂^– Anion