Microwave spectrum, structure, low frequency vibrations, dipole moment and quadrupole coupling constants of dinitrogen trioxide

Brittain, Alan H.; Cox, A. Peter; Kuczkowski, Robert L.

doi:10.1039/tf9696501963

Cited by 61 publications

(31 citation statements)

References 2 publications

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“…While the theoretical values comply with the coupling constants including uncertainties due to standard deviations predicted by Bird et al [46], they differ from those determined by Lees [4].…”

Section: Methodsmentioning

confidence: 59%

“…This isomer is responsible [4] for the observed microwave spectrum associated with the 14 N quadrupole coupling constants. While the calculated N-O bond lengths and bond angles agree fairly well with the values corresponding to the experimental structures, the N-N length is at the CCSD(T)/cc-pVTZ level of theory underestimated by about 0.03 Å, and with the CASSCF method about twice as much.…”

Section: N 2 Omentioning

confidence: 89%

“…The first microwave spectroscopic studies of N 2 O 3 [4] and FNO [5], furnishing both structure parameters and nuclear quadrupole coupling constants (NQCCs), were reported almost forty years ago in the same issue of a journal. Since then a number of experimental and theoretical studies appeared on N 2 O 3 [6][7][8][9][10][11][12][13] and FNO [14][15][16][17][18][19] (and references therein) devoted to the interpretation and determination of structures, spectroscopic properties, dipole moments, heats of formation, etc., including those providing new 14 N QCCs on the basis of high-resolution measurements [1,20], and henceforth values of the electric field gradient (EFG) at nitrogen sites in N 2 O 3 .…”

Section: Introductionmentioning

confidence: 99%

“…Coordinate systems used to characterize the geometry of N 2 O 3 (a = 23.91°for the structure defined in[4]). …”

mentioning

confidence: 99%

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Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO

Polák

Fišer

2008

Chemical Physics

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Section: Methodsmentioning

confidence: 59%

Section: N 2 Omentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

“…Coordinate systems used to characterize the geometry of N 2 O 3 (a = 23.91°for the structure defined in[4]). …”

mentioning

confidence: 99%

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Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO

Polák

Fišer

2008

Chemical Physics

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“…Dintrogen trioxide ONNO 2 and dinitrogen tetroxide O 2 NNO 2 have one and two less geminal lone pairs and two and four more vicinal lone pairs than ONNO. The N-N distance decreases in the order of ONNO > ONNO 2 [123] > O 2 NNO 2 [124]. The still remaining long N-N bond in O 2 NNO 2 without any geminal lone pairs on the nitrogen atoms supports the effect of vicinal lone pairs predicted for 14 [97] and proposed for O 2 NNO 2 [125].…”

Section: Nitrogen Oxidesmentioning

confidence: 65%

Orbitals in Inorganic Chemistry: Metal Rings and Clusters, Hydronitrogens, and Heterocyles

Inagaki

2009

Topics in Current Chemistry

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A chemical orbital theory is useful in inorganic chemistry. Some applications are described for understanding and designing of inorganic molecules. Among the topics included are: (1) valence electron rules to predict stabilities of three- and four-membered ring metals and for those of regular octahedral M(6) metal clusters solely by counting the number of valence electrons; (2) pentagon stability (stability of five- relative to six-membered rings in some classes of molecules), predicted and applied for understanding and designing saturated molecules of group XV elements; (3) properties of unsaturated hydronitrogens N( m )H( n ) in contrast to those of hydrocarbons C( m )H( n ); (4) unusually short nonbonded distances between metal atoms in cyclic molecules.

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Nitric Acid, Nitrous Acid, and Nitrogen Oxides

Thiemann

Scheibler

Wiegand

2000

Ullmann's Encyclopedia of Industrial Chemistry

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The article contains sections titled: 1. Nitric Acid 1.1. Introduction 1.2. Properties 1.3. Industrial Production 1.3.1. Oxidation of Ammonia 1.3.2. Oxidation and Absorption of Nitrogen Oxides 1.3.3. Equipment 1.3.3.1. Filters and Mixers 1.3.3.2. Burners and Waste‐Heat Boilers 1.3.3.3. Compressors and Turbines 1.3.3.4. Heat Exchangers and Columns 1.3.3.5. Construction Materials 1.3.4. Processes 1.3.4.1. Weak Acid Processes 1.3.4.2. Concentrated Acid Processes 1.4. Environmental Protection 1.4.1. Wastewater 1.4.2. Stack Gas 1.4.2.1. Emission Limits 1.4.2.2. Analysis 1.4.2.3. Control of NO x Emissions 1.5. Storage and Transportation 1.6. Uses and Economic Aspects 2. Nitrous Acid 3. Nitrogen Oxides 3.1. Dinitrogen Monoxide 3.2. Nitrogen Monoxide 3.3. Nitrogen Dioxide and Dinitrogen Tetroxide 3.4. Dinitrogen Trioxide 3.5. Dinitrogen Pentoxide 4. Toxicology and Occupational Health

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Microwave spectrum, structure, low frequency vibrations, dipole moment and quadrupole coupling constants of dinitrogen trioxide

Cited by 61 publications

References 2 publications

Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO

Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO

Orbitals in Inorganic Chemistry: Metal Rings and Clusters, Hydronitrogens, and Heterocyles

Nitric Acid, Nitrous Acid, and Nitrogen Oxides

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