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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Interstitial O3 in silica: a molecular cluster density functional study
TL;DR: In this article, the electronic and molecular properties of interstitial O 3 in SiO 2 have been theoretically studied by coupling the molecular cluster model to the density functional theory, and it was shown that, on passing from the free species to the interstitial one, electronic structures of O 3 are only slightly perturbed.
Journal ArticleDOI
Recalculation of sextic centrifugal distortion constants of ozone
TL;DR: In this article, a complete set of sextic centrifugal distortion constants of ozone is calculated by evaluating the theoretical expressions developed by Sumberg and Parker, and also by evaluating theoretical expressions derived by Aliev and Watson.
Journal ArticleDOI
Effective Hamiltonians for Coriolis‐coupled nearly degenerate modes: Illustrative examples
TL;DR: Using an angular momentum dependent Bogoliubov-Tyablikov (BT) transformation technique effective rotational Hamiltonians were derived for four molecules all of which have a pair of nearly degenerate strongly coupled vibrational modes as discussed by the authors.
Journal ArticleDOI
A charge flow model for the high derivatives of the molecular dipole moment. II. Application to oxygen containing triatomics
Jeffrey L. Hylden,John Overend +1 more
TL;DR: In this article, the results of Gussoni for carbon-hydrogen bonds in various hydrocarbons indicate that the hybridization of the bond is not as important as the electronegativity of the central atom and of other atoms in the molecule in determining the charge flow parameters.
Journal ArticleDOI
An interplay between the phenomenon of chemical isomerism and symmetry requirements: a perennial source of stimuli for molecular-structure concepts, as well as for algebraic and computational chemistry†
TL;DR: In this article, the symmetry properties of stationary points of potential energy hypersurfaces (for both rigid and nonrigid species), and especially symmetry rules for transition states including their symmetry numbers, are discussed.
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