The nu(1)+nu(3) bands of the (OOO)-O-16-O-17-O-16 and (OOO)-O-16-O-16-O-17Isotopomers of ozone

Citation
A. Perrin et al., The nu(1)+nu(3) bands of the (OOO)-O-16-O-17-O-16 and (OOO)-O-16-O-16-O-17Isotopomers of ozone, J MOL SPECT, 207(1), 2001, pp. 54-59
Citations number
32
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF MOLECULAR SPECTROSCOPY
ISSN journal
00222852 → ACNP
Volume
207
Issue
1
Year of publication
2001
Pages
54 - 59
Database
ISI
SICI code
0022-2852(200105)207:1<54:TNBOT(>2.0.ZU;2-5
Abstract
Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an O- 17 enriched ozone sample, an extensive analysis of the v(1) + v(3) bands of the (OOO)-O-16-O-17-O-16 and (OOO)-O-16-O-16-O-17 isotopomers of ozone has been performed for the first time. The experimental rotational levels of t he (101) vibrational states were satisfactorily reproduced using a Hamilton ian matrix that rakes into account the observed rovibrational resonances. M ore precisely, for (OOO)-O-16-O-17-O-16, as for the other C-2v-type ozone i sotopomers, it was necessary to account for the Coriolis type resonances li nking the (101) rotational levels with the levels of the (200) and (002) vi brational states and the Darling-Dennison interaction coupling the levels o f (200) with those of (002). For the C-s-type isotopomer, namely (OOO)-O-16 -O-16-O-17, as for (OOO)-O-16-O-16-O-18 and (OOO)-O-16-O-18-O-18, it proved necessary to also account for an additional DeltaK(a) = +/-2 resonance inv olving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis , Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix w hich takes these resonances explicitly into account, precise vibrational en ergies and rotational and coupling constants were deduced, leading to the f ollowing band centers: v(0)(v(1) + v(3)) = 2078.3496 cm(-1) for (OOO)-O-16- O-17-O-16 and v(0)(v(1) + v(3)) = 2098.8631 cm(-1) for (OOO)-O-16-O-16-O-17 . (C) 2001 Academic Press.