The ozone molecule: infrared and microwave spectroscopy

Determination of the Effective Ground State Potential Energy Function of Ozone from High-Resolution Infrared Spectra

“…The progress in the spectroscopic characterization of the molecule, and the impact of these studies on the understanding of its photochemistry, were reviewed by Steinfeld et al (1), Flaud et al (2,3), and Bacis et al (4). There have been many determinations of the ground state potential energy function of ozone from experimental data (5)(6)(7)(8).…”

Analysis of High-Resolution Spectra of 18O3

“…In this region appear the ν 3 and ν 4 bands of various nitric acid isotopes. We made a rough estimation of a pressure for HNO 3 , leading to a value lower than 10 −3 Torr. The assignments of HNO 3 lines have been made using a set of other spectra, not given in Table 1, recorded for the analysis of the other different mixtures of isotopic O 3 : the two different spectra shown in Fig.…”

“…With respect to these studies, 18 O 3 is spectroscopically of interest: new experimental data can serve to study isotopic effects in spectroscopy properties and in the dynamics of nuclear motion of the ozone molecule and to validate recent theoretical predictions from potential functions (5). References for mono-or bisubstituted 17 O or 18 O ozone may be found in (3). The spectrum of 18 O 3 has been analyzed by the microwave technique (8), leading to a set of rotational constants for the ground vibrational state (000), and by the high-resolution infrared technique for ν 2 (9), ν 1 and ν 3 (10), and ν 1 + ν 3 (11); 11 additional band centers up to 4000 cm −1 were derived by low-resolution studies (12).…”

“…In the case of 16 O 3 , various resonances were taken into account to correctly reproduce observed transitions. They included classical resonances, Coriolis or Darling-Dennisson, due to the proximities of harmonic frequencies ω 1 # ω 3 and of their combinations ω 1 + ω 3 # 3ω 2 , but also due to other accidental rovibrational interactions described in (1), and particularly the strong anharmonic resonance between (005) and (311) states (13). Also, the study of intensities and transition moment parameters leads to additional information.…”

High-resolution pulsed-field-ionization zero-kinetic-energy photoelectron spectroscopic study of the two lowest electronic states of the ozone cation O3+

“…Also, modeling of the role of ozone in the lower ionosphere requires direct and dissociative ionization by photons or electrons to be taken into account, and modeling of ozone in the stratosphere requires its ionization energy and electron affinity. Reliable values for the first ionization energy of O 3 and dissociation energies of O 3 and O 3 ϩ are central to such studies. From a spectroscopic point of view, O 3 ϩ is of interest as an isoelectronic species to NO 2 , which has been studied intensively experimentally as well as theoretically ͑see, e.g., Refs.…”