Infrared bands of the HCNO molecule

Ferretti, Eugene L.; Rao, K. Narahari

doi:10.1016/0022-2852(74)90171-4

Cited by 41 publications

(40 citation statements)

References 7 publications

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“…Fulminic acid, HCNO, is one of the most important representatives of this class of molecules and has been subjected to extensive previous experimental 2, [4][5][6][7][8][9] and theoretical [10][11][12][13][14][15][16] analyses.…”

Section: Introductionmentioning

confidence: 99%

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Mladenović

Lewerenz

2008

Chemical Physics

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Section: Introductionmentioning

confidence: 99%

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Mladenović

Lewerenz

2008

Chemical Physics

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“…Reaction (10) will not suppress reaction (3), CN + HCNO, because the CN+NO reaction is slow at the low pressures used in these experiments. Reaction (3) produces HCCN radicals [4,7] which then react with 15 In these experiments, however, we detect the non-labeled HC 14 N isotope, which is not affected by this secondary chemistry. The nitrogen-15 labeling is therefore important for this experiment (the oxygen-18 labeling is not).…”

Section: Product Channel (1a) O + Hcnmentioning

confidence: 58%

“…The nitrogen-15 labeling is therefore important for this experiment (the oxygen-18 labeling is not). We also note that any CH formed from channel (1f) will react with 15 (1.5 Torr) mixture, as shown in Figure 2, to photolysis channel (1a).…”

Section: Product Channel (1a) O + Hcnmentioning

confidence: 84%

“…HCNO samples were synthesized as previously described [8,[12][13][14] 1,2,3 by flash vacuum pyrolysis of 3-phenyl-4-oximino-isoxazol-5(4H)-one. Sample purity was characterized by FT-IR spectroscopy via a strong HCNO absorption band at 2195 cm -1 [15], and a strong HNCO band at 2168 cm -1 [16]. The sample purity was estimated at 95% or better, with only small CO 2 and HNCO impurities.…”

Section: Methodsmentioning

confidence: 99%

“…This approach is complicated, however, by secondary sources of NO, including reaction (2), (3), (4), (5c), etc. We therefore used an alternative approach to detect this channel: we included an excess of 15 The product branching ratio of reaction has been estimated to be φ 9a = 0.21 ± 0.1; φ 9b = 0.72 ± 0.1 [20]. A subsequent secondary reaction then produces 15…”

Section: Product Channel (1f) Ch+nomentioning

confidence: 99%

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Product channels in the 193-nm photodissociation of HCNO (fulminic acid)

Feng

Hershberger

2016

Chemical Physics

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IR diode laser spectroscopy was used to detect the products of HCNO (fulminic acid) photolysis at 193 nm. Six product channels are energetically possible at this photolysis wavelength: O + HCN, H + NCO/CNO, CN + OH, CO + NH, NO + CH and HNCO. In some experiments, isotopically labeled 15 N 18 O, C 2 D 6 or C 6 H 12 reagents were included into the photolysis mixture in order to suppress and/or redirect possible secondary reactions. HCN, OC 18 O, 15 N 15 NO, CO, DCN and HNCO molecules were detected upon laser photolysis of HCNO/reagents/buffer gas mixtures. Analysis of the yields of product molecules leads to the following photolysis quantum yields: φ 1a (O+HCN) = 0.38 ± 0.04, φ 1b (H + (NCO)) = 0.07 ± 0.02, φ 1c (CN + OH) = 0.24 ± 0.03, φ 1d (CO + NH(a 1 ∆)) < 0.22 ± 0.1, φ 1e (HNCO) = 0.02 ± 0.01 and φ 1f (CH + NO) = 0.21 ± 0.1, respectively.

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The Rotational and Rotation‐Bending Spectrum of HC¹⁵NO: An Extended Analysis of the Spectral Regions 18‐40 GHz, 90‐440 GHz and 170‐1300 cm⁻¹

Islami

Jabs

Preusser

et al. 1995

Ber Bunsenges Phys Chem

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The rotational spectrum of the 15N‐substituted quasilinear molecule fulminic acid, HCNO, has been measured in the frequency range from 90 to 440 GHz covering rotational transitions up to J = 19←18. Rotational transitions arising from HC15NO molecules in 52 vibrational levels were detected and assigned. Additional information was obtained by measuring the direct l‐type transitions for v5 = 1 and 3 and for v4 = 1 in the frequency range from 18 to 40 GHz. With the information from the rotational spectrum the analysis of the far and mid‐infrared spectra (170‐1300cm−1), which was started by Wagner et al. [J. Mol. Spectrosc. 162, 82 (1993)], could be extended so that the vibrational term values of HC15NO were determined for almost every state below 2500cm−1. The assignment of the 114 subbands involved allowed in turn the assignment of 25 subbands in the mid‐infrared from the data of Quapp et al. [J. Mol. Spectrosc. 160, 540 (1993)]. The infrared spectra were recorded with a Bruker IFS 120 HR interferometer at resolutions between 0.0019 and 0.0034 cm−1. For the vibrational states (v1 v2v3v4v5) = (00000), (00001), (00002), (00003), (00004), (00010), (00011) an (00100) the spectroscopic constants of an effective Hamiltonian for linear molecules could be improved by combining the already published infrared data with the millimeter wave, microwave and newly assigned infrared data presented in this work. For the states (00013) and (00101) these constants were also calculated. A calibration problem with the infrared data became obvious and important. The effects of a Fermi‐type resonance between the vibrational levels (00004)oe and (00100)oe and a Coriolis resonance between the states (00002) and (00010) on the rotational and rovibrational spectra were observed and analysed. The difficulties encountered in determining the Coriolis resonance parameters are discussed.

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Infrared bands of the HCNO molecule

Cited by 41 publications

References 7 publications

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Product channels in the 193-nm photodissociation of HCNO (fulminic acid)

The Rotational and Rotation‐Bending Spectrum of HC¹⁵NO: An Extended Analysis of the Spectral Regions 18‐40 GHz, 90‐440 GHz and 170‐1300 cm⁻¹

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Infrared bands of the HCNO molecule

Cited by 41 publications

References 7 publications

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Equilibrium structure and energetics of CHNO isomers: Steps towards ab initio rovibrational spectra of quasi-linear molecules

Product channels in the 193-nm photodissociation of HCNO (fulminic acid)

The Rotational and Rotation‐Bending Spectrum of HC15NO: An Extended Analysis of the Spectral Regions 18‐40 GHz, 90‐440 GHz and 170‐1300 cm−1

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The Rotational and Rotation‐Bending Spectrum of HC¹⁵NO: An Extended Analysis of the Spectral Regions 18‐40 GHz, 90‐440 GHz and 170‐1300 cm⁻¹