Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

Poster session, H24 137Analysis of the ν 1 + ν 4 combination band of NO 3Takashi Ishiwata 1 , Natsuko Shimizu 2 , Ryuji Fujimori 2 , Kentarou Kawaguchi 2 , EiziHirota 3 , and Ikuzo Tanaka 41 Hiroshima City University, Japan, ishiwata@hiroshima-cu.ac.jp; 2 Okayama University,Japan; 3 Graduate University for Advanced Studies, Japan; 4 Tokyo Institute ofTechnology, JapanIshiwata T.Shimizu N.Fujimori F.Kawaguchi K.Hirota E.Tanaka T.Nitrate radical (NO 3 ) is one of the chemical intermediates which play important roles inchemical transformation in the Earth’s atmosphere. Apart from the problems inatmospheric chemistry, recent interest concerns with the vibronic structure of the 2 A 2 ’ground state studied from both of the experimental and theoretical sides.We have observed the infrared spectrum of NO 3 in the 1400 cm -1 region using a highresolution FT-IR spectrometer. Two 2 E’- 2 A 2 ’bands were identified for two isotopomersof NO 3 ( 14 NO 3 and 15 NO 3 ). The rotational analyses indicated these bands had the lowerstate in common, which coincided with the ground state of D 3h symmetry. One was theband reported in 1985 as the ν 3 (e’) band 1 , and reanalyzed in 1990 2 . The other was theband observed at 1413 cm -1 for 14 NO 3 and 1407 cm -1 for 15 NO 3 and assigned as thetransition to the ν 1 +ν 4 (e’) state. The spectra were free from perturbation and wereanalyzed by using a Hamiltonian appropriate for the states of vibronic E’ symmetry ofplanar D 3h molecules including spin-rotation and spin-orbit interactions. The l-typedoubling, spin-orbit, and Coriolis coupling constants which characterize the degeneratevibrational states were consistent with each other in two isotopomers, but they weresubstantially different from other 2 E’ vibronic states except for the ν 4 (e’) state reportedrecently 3 .References[1] T. Ishiwata, I. Tanaka, K. Kawaguchi, and E. Hirota, J. Chem. Phys. 82, 2196, 1985.[2] K. Kawaguchi, E. Hirota, T. Ishiwata, and I. Tanaka, J. Chem. Phys. 93, 951, 1990.[3] K. Kawaguchi, N. Shimizu, R. Fujimori, J. Tang, T. Ishiwata, and I. Tanaka, J. Mol.Spectrosc. 268, 85 2011.