Journal ArticleDOI
The 2B1 ← 2A1 system of nitrogen dioxide☆
J.L. Hardwick,J.C.D. Brand +1 more
TLDR
The vibrational structure of the 2B1 ← 2A1 system of NO2 has been assigned to a progression in ν′2. as mentioned in this paper showed that the bending potential function is expressed as a rapidly converging Taylor series expansion about the linear configuration.About:
This article is published in Chemical Physics Letters.The article was published on 1973-09-01. It has received 100 citations till now.read more
Citations
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Journal ArticleDOI
High-resolution absolute absorption cross sections of NO2 at 295, 573, and 673 K at visible wavelengths
TL;DR: In this article, absolute absorption cross sections of nitrogen dioxide were measured with a resolution of 0.008 nm in 470-490, 520-534, 588-601 and 603-616 nm spectral regions at temperatures of 295, 573, and 673 K. All data were corrected for thermal decomposition of NO2 at the elevated temperatures.
Journal ArticleDOI
Quantum ergodicity in small molecules: The continuum fluorescence of nitrogen dioxide
TL;DR: In this article, the failure of selection rules on K/sub a/, nu, and vibronic symmetry in the visible band systems of NO/sub 2/ are interpreted as resulting from the coupling of the excited electronic state with vibrational levels of the ground electronic state which are above the threshold for ergodic motion and therefore retain no quantization of those observables.
Journal ArticleDOI
Analytical global potential energy surfaces of the two lowest 2A′states of NO2
TL;DR: In this article, the authors report two new global analytical potential energy surfaces (PESs) corresponding to the lowest adiabatic 12A and 22A states of NO2.
Journal ArticleDOI
Primary Processes in the Photolysis of NO2
H. Gaedtke,J. Troe +1 more
TL;DR: In this paper, the quantum yield of the photolysis of NO2 (6 Torr) under continuous irradiation has been measured in the presence of N2 in the pressure range 0 ≤ P(N2) ≤ 1000 atm at temperatures 296 ≤ T ≤ 428 K and wavelengths 313 ≤ λ ≤ 416 nm.
Journal ArticleDOI
The C̃ 2A2 excited state of NO2: Evidence for a Cs equilibrium structure and a failure of some spin-restricted reference wavefunctions
TL;DR: In this paper, the geometry and harmonic vibrational frequencies of the C 2A2 electronic state of nitrogen dioxide have been determined using coupled cluster theory in conjunction with large basis sets, and the minimum energy C 2v-constrained N −O bond distance predicted by the highest level of theory is significantly shorter than the experimentally inferred value, and it is unlikely that further refinement in the theoretical treatment would reduce the discrepancy.
References
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Journal ArticleDOI
Determination of Molecular Structure from Microwave Spectroscopic Data
TL;DR: In this article, a method for determining the position of an atom in a molecule from spectroscopic measurements on two isotopic species of the molecule is described, and explicit expressions are derived for linear, symmetric top, planar, and nonplanar asymmetric top molecules.
Journal ArticleDOI
Microwave Spectrum of NO2: Fine Structure and Magnetic Coupling
George R. Bird,James C. Baird,Albert W. Jache,Jimmie A. Hodgeson,Robert F. Curl,Albert C. Kunkle,James W. Bransford,John Rastrup‐Andersen,Jack Rosenthal +8 more
TL;DR: The results obtained for 14N16O2 are: Rotational constantsA=239 868.7±11 Mc/secB= 13 000.12±0.6 Mc/ secC= 12 303.45±0 6.6Mc/secOdd electron expectation values with respect to (3ra2−1)/2r3〉=−1.73×1024cm−3N−nucleus〈(rb−irc)2/r3
Journal ArticleDOI
The absorption spectrum of no2 in the 3 700-4 600 a region,
A. E. Douglas,K. P. Huber +1 more
TL;DR: In this article, an investigation of the absorption spectra of both 14NO2 and 15NO2 has revealed a long progression of red-degraded bands in the region 3 700 −4 600 A.
Journal ArticleDOI
Electronic Structure and Electronic Spectrum of Nitrogen Dioxide. III Spectral Interpretation
R. A. Gangi,L. Burnelle +1 more
TL;DR: In this article, the excitation energies, potential energy surfaces, and oscillator strengths computed in the previous paper are discussed in light of experimentally reported spectroscopic data, namely absorption, fluorescence, chemiluminescence, predissociation, photolysis, and the absence of phosphorescence.