Infrared spectroscopy of difference and combination bands of the NO3 radical and anharmonicity analysis

Kentarou Kawaguchi, Ryuji Fujimori, Jian Tang, Takashi Ishiwata

Research output: Contribution to journalArticlepeer-review

Abstract

The 2ν34 difference bands of 14NO3 and 15NO3 have been observed in the 1643.6 cm−1 and 1622.0 cm−1 region, respectively, and analyzed to determine molecular constants in the v3 = 2 state. The present paper also reports re-analysis of high-resolution spectra of the 15NO3 radical from 2000 to 2500 cm−1, which have been reported previously without vibrational assignments [J. Phys. Chem. A 114(2010), 980]. Three bands at 2004, 2128, and 2492 cm−1 are analyzed as the ν1 + ν3, 2ν3, and ν1 + ν3 + ν4 bands, including perturbations from nearby states. All vibrational states of 14NO3 and 15NO3 so far observed by infrared spectroscopy and laser induced fluorescence (LIF) are analyzed by using a vibrational energy matrix including cubic and quartic anhamonic effects, to determine anharmonicity constants and eigenvector coefficients. The first-order Coriolis coupling constants Cζ and the effective spin–orbit interaction constants aeff are calculated by using the eigenvector coefficients and compared with the observed values.

Original languageEnglish
Article number111594
JournalJournal of Molecular Spectroscopy
Volume385
DOIs
Publication statusPublished - Mar 2022

Keywords

  • 2ν-ν difference band
  • Anharmonicity
  • IR spectroscopy
  • Nitrate radical
  • Vibronic interaction
  • ν+ν+ν vibration
  • ν+ν, 2ν

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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