Journal ArticleDOI
Microwave spectrum, structure, low frequency vibrations, dipole moment and quadrupole coupling constants of dinitrogen trioxide
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In this article, the structure of N2O3 has been determined from the microwave spectrum of seven isotopic species, and the detailed structure associated with the following planar configuration is: [graphic omitted] d(N2N3)= 1.864 A; d (N2O1)= 1,142 A; D(N3O4)= 1., 1.202 A, d(n3O5)= 1; ∠O1N2 N3= 105.1°∠O4N3N2= 112.5°Abstract:
The structure of N2O3 has been determined from the microwave spectrum of seven isotopic species. The detailed structure associated with the following planar configuration is: [graphic omitted] d(N2N3)= 1.864 A; d(N2O1)= 1.142 A; d(N3O4)= 1.202 A; d(N3O5)= 1.217 A; ∠O1N2N3= 105.1°∠O4N3N2= 112.7°∠O5N3N2= 117.5°. The torsional vibrational frequency has been measured as 124 ± 25 cm–1. The quadrupole coupling constants for the nitrosyl nitrogen are χaa=–2.34 MHz, χbb= 1.12 MHz, and χcc= 1.22 MHz. The dipole moment has been determined as |µa|= 2.05 D; |µb|= 0.54 D; and |µt|= 2.12 D inclined at an angle of 9.1° to the N—N bond. On the basis of these data, the bonding is discussed.read more
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Journal ArticleDOI
Density functional study of nitrogen oxides
TL;DR: In this article, a set of ten neutral nitrogen oxides (NO, NO2, NO3, N2O, NN 2, NN 3 and NN 4 ) were calculated by applying one local and two gradient-corrected nonlocal functionals.
Book ChapterDOI
Characterization of Nitrogen Oxides by Vibrational Spectroscopy
Jaan Laane,James R. Ohlsen +1 more
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Molecular beam electric resonance spectroscopy of the nitric oxide dimer
TL;DR: In this paper, the rotational, nuclear quadrupole coupling and spin-rotation constants of the ground electronic state treated as a singlet state were determined for (NO)2 using the technique of molecular beam electric resonance spectroscopy.
Journal ArticleDOI
The molecular adsorption of NO2 and the formation of N2O3 on Au(111)
Michael E. Bartram,Bruce E. Koel +1 more
TL;DR: In this paper, the adsorption of NO 2 on Au(111) has been investigated using temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS).
Journal ArticleDOI
Isomeric Forms of Dinitrogen Trioxide in a Nitrogen Matrix
Abstract: When dinitrogen trioxide is formed in a nitrogen matrix, it displays a vibrational spectrum very similar to that of the gas‐phase, asymmetrical molecule (asym‐N2O3). On near‐infrared irradiation at 20°K, however, this structure is converted into an isomeric form with absorptions at 1689.7, 1661.0, 969.4, 704.3, 387.4, and 365.5 cm−1. Both 15N and 18O labeling show that this isomer (sym‐N2O3) has conventional, nitrite‐like bonding and an extended, symmetric configuration, O=N–O–N=O. The spectral region responsible for the matrix‐photolytic conversion of asym‐N2O3 into sym‐N2O3 is 7000–9000 A, a region in which asym‐N2O3 absorbs (maximum, near 7200 A). The sym‐N2O3 can be converted quantitatively back into asym‐N2O3 through irradiation in the ultraviolet region, 3700–4800 A. Ultraviolet absorption features at 3630, 3810, and 3980 A appear in the spectra of matrix samples during infrared‐photolytic production of sym‐N2O3. These features disappear during the ultraviolet conversion of sym‐N2O3 back into asym‐N...