High-resolution absolute absorption cross sections of NO2 at 295, 573, and 673 K at visible wavelengths

Corcoran, Timothy C.; Beiting, Edward J.; Mitchell, Mark O.

doi:10.1016/0022-2852(92)90033-k

Cited by 35 publications

(18 citation statements)

References 15 publications

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“…However, the absorption spectrum shown in Figure 4 is in very good agreement with the low-resolution spectrum reported by Stevens and Zare.14 Additionally, also the absolute absorption cross section measured by Corcoran et UZ. '~ at 295 K correlates very well with our absorption coefficient a(a) recorded at 309.99 K. In general, the deviation between the absorption cross sections is on the order of 15%, which lies reasonably well within the uncertainty of 10% given in ref 15 and Aa(a) inherent in our absorption spectrum. For a > 16 OOO cm-' a simple progression of bands with a spacing of 880 cm-I can be seen in our spectrum, which can be assigned to the K' = 0 -K" = 1 subbands of a k2 B1-X2 A1 electronic t r a n~i t i o n .~~ The dispersion of the complex mean dipole polarizability &(a) = a(o) -ia'(a) of NO2 is shown in Figure 7.…”

Section: Discussionsupporting

confidence: 67%

The complex refractive index .cxa.n(.sigma.,T,.rho.) of NO2/N2O4 in the visible and static dipole polarizability of N2O4

Goebel¹,

Hohm²,

Kerl³

et al. 1994

J. Phys. Chem.

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Dispersive Fourier transform spectroscopy in the visible (DFTS-VIS) is used to study the complex refractive index A of equilibrium mixtures of N O D 2 0 4 in the gas phase between 290 and 350 K and in the wavenumber range between 11 000 and 19 000 cm-'. With the aid of quantum-chemical MBPTMP2 calculations of the components of the static dipole polarizability tensor of N2O4, the quasi-continuous spectra of the complex mean dipole polarizability = a -ia' of the neat components NO2 and N204 are obtained. On the other hand, for these neat components a(uo) at wavenumber 00 = 15 798 cm-' is experimentally determined to be ano,(uo) = 3.0233(37) x m3 and aN,o,(uo) = 6.69(13) x m3. The static limit of the mean dipole polarizability a of N204 is calculated to be a(0) = 6.43(19) x m3. In addition, we report experimental results on the equilibrium constant Kp of the dimerization equilibrium N204 === 2N02, obtained from the temperature and pressure dependence of iz, as well as quantum-chemical calculations of the quadrupole and hexadecapole moment tensors of N2O4.

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Section: Discussionsupporting

confidence: 67%

The complex refractive index .cxa.n(.sigma.,T,.rho.) of NO2/N2O4 in the visible and static dipole polarizability of N2O4

Goebel¹,

Hohm²,

Kerl³

et al. 1994

J. Phys. Chem.

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“…As an example, NO 2 -which can decay into NO + O or O 2 + N-plays a major role in atmospheric chemistry, as a smog constituent and in combustion processes. [1][2][3] The reaction characteristics change from formation of NO 2 to exchange and dissociation reactions at higher temperatures (1000-20 000 K). Above 20 000 K, it is expected that the reactions will be dominated by the complete dissociation to the atomic species.…”

mentioning

confidence: 99%

Communication: Equilibrium rate coefficients from atomistic simulations: The O(3P) + NO(2Π) → O2(X3Σg−) + N(4S) reaction at temperatures relevant to the hypersonic flight regime

Castro-Palacio

Bemish

Meuwly

2015

The Journal of Chemical Physics

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“…[1][2][3][4] The optical spectrum of this molecule is found to show a very complex behavior, [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] and hence, a thorough understanding of the spectral and the photochemical properties of this molecule becomes mandatory to investigate the detailed role played by it in the atmospheric chemistry. In addition to this, it also forms a prototype for studying unimolecular dissociation.…”

Section: Introductionmentioning

confidence: 99%

NO 2 : Global potential energy surfaces of the ground (1 2A1) and the first excited (1 2B2) electronic states

Kurkal¹,

Fleurat‐Lessard²,

Schinke³

2003

The Journal of Chemical Physics

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Ab initio potential energy surfaces, total absorption cross sections, and product quantum state distributions for the low-lying electronic states of N 2 O Global ab initio potential energy surfaces for the ground (1 2 A 1 ) and the first excited (1 2 B 2 ) electronic states of NO 2 are presented. The calculations are performed at a multireference configuration interaction level with the correlation consistent quadruple zeta atomic basis set of Dunning ͑cc-pVQZ͒. A total of about 5000 ab initio points were calculated. The dissociation energy corresponding to NO 2 →NOϩO and other features of the surfaces are found to be in close agreement with experimental values. The adiabatic ground and the first excited electronic states form a conical intersection and have been diabatized to form two coupled diabatic surfaces. Quantum dynamics calculations are performed to obtain the fundamental frequencies and the energies of low lying bound states. Comparison of bound state energies with experimental values show good agreement.

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High-resolution absolute absorption cross sections of NO2 at 295, 573, and 673 K at visible wavelengths

Cited by 35 publications

References 15 publications

The complex refractive index .cxa.n(.sigma.,T,.rho.) of NO2/N2O4 in the visible and static dipole polarizability of N2O4

The complex refractive index .cxa.n(.sigma.,T,.rho.) of NO2/N2O4 in the visible and static dipole polarizability of N2O4

Communication: Equilibrium rate coefficients from atomistic simulations: The O(3P) + NO(2Π) → O2(X3Σg−) + N(4S) reaction at temperatures relevant to the hypersonic flight regime

NO 2 : Global potential energy surfaces of the ground (1 2A1) and the first excited (1 2B2) electronic states

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