Journal ArticleDOI
Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states
Takehiko Tanaka,Yonezo Morino +1 more
TLDR
In this article, the microwave absorption spectra of ozone were identified in the excited vibrational states with v1 = 1, v2 = 1 and 2, and v3 = 1.About:
This article is published in Journal of Molecular Spectroscopy.The article was published on 1970-03-01. It has received 222 citations till now. The article focuses on the topics: Excited state.read more
Citations
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Insights into the Mechanism of Ozone Activation and Singlet Oxygen Generation on N-Doped Defective Nanocarbons: A DFT and Machine Learning Study.
TL;DR: In this paper , the detailed reaction pathways of O3 activation on 10 potential active sites of 8 representative configurations of N-DNCs, including the pyridinic N, pyrrolic N, N on edge, and porphyrinic N were systematically mapped out.
Journal ArticleDOI
The microwave spectrum of dichlorosilylene (SiCl2) in excited vibrational states
Masaharu Fujitake,Eizi Hirota +1 more
TL;DR: The microwave spectrum of dichlorosilylene in excited vibrational states has been measured in the millimetre and submillimetre-wave regions as discussed by the authors, and the rotational and centrifugal distortion constants were determined for the ν 1, ν 2, 2ν 2 and ν 3 excited states of the Si 35 Cl 2 isotopic species and for the 2 and 2π 2 states of Si 35Cl 37 Cl.
Journal ArticleDOI
High-resolution infrared spectrum of the ν1 + ν3 band of ozone
TL;DR: In this article, the ν 1 + ν 3 band of ozone (O 3 ) near 2110 cm −1 has been measured and analyzed using a Watson-type Hamiltonian including all seven sextic centrifugal distortion terms.
Journal ArticleDOI
Self‐consistent field calculations using two‐body density functionals for correlation energy component: II. Small molecules
TL;DR: In this article, self-consistent calculations using two-body density functionals for correlation energy were done and applied to atomic systems, giving very good results, and they now apply the same scheme to small molecules.
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Electronic Structure and Magnetic Properties of Potassium Ozonide KO3
TL;DR: The calculations suggest that, because of the pi character of the magnetic orbitals, the magnetic structure for KO(3) has a significant one-dimensional character, with antiferromagnetically coupled chains along the c axis and a much weakerAntiferromagnetic coupling between neighboring chains.
References
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Journal ArticleDOI
Calculation of inertia defect: Part I. General formulation
Takeshi Oka,Yonezo Morino +1 more
TL;DR: In this paper, a general formula for inertia defect of a molecule is presented following Nielsen's theory of vibration-rotation interaction, simplified by the use of general properties of 1 matrix which transforms the normal coordinates to the Cartesian coordinates.
Journal ArticleDOI
Equilibrium structure and potential function of sulfur dioxide from the microwave spectrum in the excited vibrational state
TL;DR: In this paper, the microwave spectra of the SO2 molecule were measured in the first excited states of all the normal vibrations as well as in the second excited state of the ν2 vibration.
Journal ArticleDOI
The Molecular Structure, Dipole Moment, and g Factor of Ozone from Its Microwave Spectrum
TL;DR: In this paper, four low-J rotational transitions of 0316 have been measured in the region from 42 to 118 kmc and the rotational spectroscopic constants found are A = 106,530.0±1.1 Mc, B = 13,349.06±0.06 Mc, C = 11,834.3±1 Mc.
Journal ArticleDOI
The infrared spectrum of ozone
David J. McCaa,John H. Shaw +1 more
TL;DR: In this article, 14 bands of ozone between 500 and 3300 cm −1 have been identified and values of the vibrational anharmonic constants determined and the integrated band absorptances of many of these bands have been measured from spectra of a 32-m path of ozone-oxygen mixtures containing up to 30 atm cm O ǫ near 25°C.
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Infrared spectra of 16O3 and 18O3: Darling and Dennison resonance and anharmonic potential function of ozone
Alain Barbe,C. Secroun,P. Jouve +2 more