Journal ArticleDOI
Photodissociation of HNCO in the Vacuum Ultraviolet; Production of NCO A 2Σ and NH(A 3π, πc1)
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In this article, strong emission bands originating from NCO A2Σ and NH (A 3π, c 1π) were found in the photodissociation of HNCO in the vacuum ultraviolet.Abstract:
Strong emission bands originating from NCO A2Σ and NH (A 3π, c 1π) were found in the photodissociation of HNCO in the vacuum ultraviolet. In addition, weak bands coming from NCO B 2Π were observed. Threshold energies of incident photons to produce these bands were measured, from which the following bond dissociation energies and heats of formation were obtained: D(H–NCO) = 4.90 ± 0.01 eV, D(HN–CO) = 3.38 ± 0.1 eV, D(N–CO) = 2.14 ± 0.15 eV, ΔHf(HNCO) = − 1.0 ± 0.14 eV, ΔHf(NCO) = 1.6 ± 0.15 eV. The emission spectrum, NCO A 2Σ → X 2π, produced from the photolysis at the Xe and Kr lines shows that NCO A 2Σ is highly excited in bending vibration, indicating that the upper state of HNCO from which NCO A 2Σ predissociates has a bent NCO configuration. NH c1Π formed is highly rotationally excited. Experimental evidence is presented to show that NH A 3π is produced primarily by a secondary process, CO a 3π + NH X 3Σ → CO X 1Σ + NH A 3π. Primary processes in the near‐ultraviolet photolysis of HNCO are discussed on...read more
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Solar photo rates for planetary atmospheres and atmospheric pollutants
TL;DR: In this article, the rate coefficients and excess energies for dissociation, ionization, and dissociative ionization are presented for atomic and molecular species that have been identified or are suspected to exist in the atmospheres of planets, satellites (moons), comets, or as pollutants in the Earth atmosphere.
Journal ArticleDOI
The heat of formation of NCO
Allan L. L. East,Wesley D. Allen +1 more
TL;DR: In this paper, five independent reactions were investigated to establish a consistent value for ΔHf,0○(NCO): (a) HNCO(X 1A’)→H++NCO−, (c) N(4S)+CO→NCO-2Π), (d) HCN+O(3P)→HC(2S)+NCO[2S]-NCO
Journal ArticleDOI
Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
TL;DR: The internal consistency and convergence behavior of the data suggests accuracies of +/-0.2 kcal mol(-1) in these predictions, except perhaps in the HCNO case, and the need for CCSDTQ [full coupled cluster through quadruple excitations] computations to eliminate remaining uncertainties is apparent.
Journal ArticleDOI
The CHNO Isomers
Joaquim Henrique Teles,Günther Maier,B. Andes Hess,Lawrence J. Schaad,Manfred Winnewisser,Brenda P. Winnewisser +5 more
TL;DR: The recent isolation of iso-fulminic acid has opened the door for a comparative study of all the four possible CHNO isomers: isocyanic acid, cyanic acid, fulminic acids, and iso-minimic acid as mentioned in this paper.
Journal ArticleDOI
The oxidation of hydrogen cyanide in fuel-rich flames☆
TL;DR: The decay of hydrogen cyanide in the burnt gases of a number of fuel-rich flames has been investigated with a view to establishing the mechanism of decay and reconciling discrepant results reported in the literature as mentioned in this paper.
References
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Infrared and Raman spectra of polyatomic molecules
TL;DR: In this article, the authors present a series on molecular spectra and molecular structure, and a large number of tables have also been included in which theoretical results are summarized, or observed data collected, for the benefit of those carrying out research work in the field of infrared and Raman spectra or related fields.
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The identification of molecular spectra
R. W. B. Pearse,A. G. Gaydon +1 more
TL;DR: In this paper, the Spectra of Deuterides spectra are used to identify persistent band heads, and the identification of bands is discussed. But they do not specify the number of heads.
Journal ArticleDOI
THE 0–0 AND 1–0 BANDS OF THE A(3Πi)–X(3Σ−) SYSTEM OF NH
TL;DR: In this article, it was shown that NH molecules have been produced during flash photolysis of HNCO, and the 0-0 and 1-0 bands of the A(3Πi)← X(3 Σ−) system have been photographed in absorption in the third order of a 21-foot con...