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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The analytic gradient of the perturbative triplet excitations correction to the Brueckner doubles method
TL;DR: In this paper, the Brueckner double varinat of coupled cluster theory is used to calculate the analytic gradient of the closed-shell perturbative triple excitations correction.
Journal ArticleDOI
Site selective dissociation upon core ionization of ozone
Alexandra Mocellin,Karoline Wiesner,Stacey Ristinmaa Sörensen,Catalin Miron,Karine Le Guen,Denis Céolin,Marc Simon,Paul Morin,Andre Bueno Machado,Olle Björneholm,Arnaldo Naves de Brito +10 more
TL;DR: In this article, a site-selective fragmentation pattern was found for the O-2(+)/O(O+/O+) ion pair when the terminal (central) oxygen Is electron is ionized.
Journal ArticleDOI
Microwave spectra of dichlorine monoxide in its excited vibrational states
TL;DR: The microwave spectra of dichlorine monoxide (Cl 2 O) in its excited vibrational states were measured in the frequency range 12-56 GHz and the Coriolis interaction between the v 1 and v 3 states was analyzed and the following equilibrium rotational constants and equilibrium structure were obtained as mentioned in this paper.
Journal ArticleDOI
Powder diffraction study on solid ozone
Rupert Marx,Richard M. Ibberson +1 more
TL;DR: In this article, the exact crystal structure of ozone was determined from conventional X-ray and high-resolution neutron powder diffraction data, and the geometry determined for an ozone molecule in the solid is found in good agreement with the well known gas phase structure.
Journal ArticleDOI
Excited Electronic States of the Cyclic Isomers of O3 and SO2
TL;DR: The low-lying electronic states of O3 and SO2 in their bent and cyclic isomers up to about 10 eV are calculated using the multireference configuration interaction (MRCI) method with a standard Gaussian correlation consistent polarized triple-zeta (cc-pVTZ) basis set.
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