Fourier transform infrared spectroscopy of the ν3 hot band of NO3

K. Kawaguchi, N. Shimizu, R. Fujimori, Jian Tang, T. Ishiwata, I. Tanaka

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

We report the infrared spectrum of NO3 studied with a high-resolution Fourier transform spectrometer. By improving the setup of an absorption cell, the following eight bands were observed at 1127, 1132, 1134, 1173, 1413, 1492, 1562, 1927 cm-1 in the 1000-1930 cm-1 region. The 1127, 1132, 1134, and 1562 bands were not reported previously by matrix isolation spectroscopy, and these bands have been assigned to hot bands from the ν4 state (ν3 + ν4 ← ν4) and (ν3 + 2ν4 ← ν4). The analysis of the 1127 band with an E'-E' type spectral pattern has been carried out, and major molecular constants of the lower (ν4) state are determined as follows: B = 0.459 2222(60), C = 0.227 8233(40), Cζ4 = -0.042 063(15), and ν4 = 365.48419(43) cm-1. Two A'-E' type bands with band origin frequencies of 1132 and 1134 cm-1 are also assigned, indicating that the 1492 band is assignable to ν3 + ν4, in contrast to the previous ν3 assignment. A simultaneous analysis of the 1127, 1132, 1134, 1492 cm-1 bands has been carried out to give 46 molecular constants for the ν3 + ν4 and ν4 states. The molecular constants of the ν3 + ν4 A' states are different from those of the E' state, because of an effect of vibronic interaction from the B2E′ electronic state to the ν3 + ν4 E' state.

Original languageEnglish
Pages (from-to)85-92
Number of pages8
JournalJournal of Molecular Spectroscopy
Volume268
Issue number1-2
DOIs
Publication statusPublished - Jul 2011

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Electronic states
Spectrometers
Fourier transforms
infrared spectroscopy
Spectroscopy
Infrared radiation
isolation
infrared spectra
spectrometers
high resolution
matrices
cells
electronics

Keywords

  • FT IR spectroscopy
  • Nitrate radical
  • Vibration-rotation bands
  • Vibrational assignment

ASJC Scopus subject areas

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

Cite this

Fourier transform infrared spectroscopy of the ν3 hot band of NO3. / Kawaguchi, K.; Shimizu, N.; Fujimori, R.; Tang, Jian; Ishiwata, T.; Tanaka, I.

In: Journal of Molecular Spectroscopy, Vol. 268, No. 1-2, 07.2011, p. 85-92.

Research output: Contribution to journalArticle

Kawaguchi, K, Shimizu, N, Fujimori, R, Tang, J, Ishiwata, T & Tanaka, I 2011, 'Fourier transform infrared spectroscopy of the ν3 hot band of NO3', Journal of Molecular Spectroscopy, vol. 268, no. 1-2, pp. 85-92. https://doi.org/10.1016/j.jms.2011.04.003
Kawaguchi, K. ; Shimizu, N. ; Fujimori, R. ; Tang, Jian ; Ishiwata, T. ; Tanaka, I. / Fourier transform infrared spectroscopy of the ν3 hot band of NO3. In: Journal of Molecular Spectroscopy. 2011 ; Vol. 268, No. 1-2. pp. 85-92.
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N2 - We report the infrared spectrum of NO3 studied with a high-resolution Fourier transform spectrometer. By improving the setup of an absorption cell, the following eight bands were observed at 1127, 1132, 1134, 1173, 1413, 1492, 1562, 1927 cm-1 in the 1000-1930 cm-1 region. The 1127, 1132, 1134, and 1562 bands were not reported previously by matrix isolation spectroscopy, and these bands have been assigned to hot bands from the ν4 state (ν3 + ν4 ← ν4) and (ν3 + 2ν4 ← ν4). The analysis of the 1127 band with an E'-E' type spectral pattern has been carried out, and major molecular constants of the lower (ν4) state are determined as follows: B = 0.459 2222(60), C = 0.227 8233(40), Cζ4 = -0.042 063(15), and ν4 = 365.48419(43) cm-1. Two A'-E' type bands with band origin frequencies of 1132 and 1134 cm-1 are also assigned, indicating that the 1492 band is assignable to ν3 + ν4, in contrast to the previous ν3 assignment. A simultaneous analysis of the 1127, 1132, 1134, 1492 cm-1 bands has been carried out to give 46 molecular constants for the ν3 + ν4 and ν4 states. The molecular constants of the ν3 + ν4 A' states are different from those of the E' state, because of an effect of vibronic interaction from the B2E′ electronic state to the ν3 + ν4 E' state.

AB - We report the infrared spectrum of NO3 studied with a high-resolution Fourier transform spectrometer. By improving the setup of an absorption cell, the following eight bands were observed at 1127, 1132, 1134, 1173, 1413, 1492, 1562, 1927 cm-1 in the 1000-1930 cm-1 region. The 1127, 1132, 1134, and 1562 bands were not reported previously by matrix isolation spectroscopy, and these bands have been assigned to hot bands from the ν4 state (ν3 + ν4 ← ν4) and (ν3 + 2ν4 ← ν4). The analysis of the 1127 band with an E'-E' type spectral pattern has been carried out, and major molecular constants of the lower (ν4) state are determined as follows: B = 0.459 2222(60), C = 0.227 8233(40), Cζ4 = -0.042 063(15), and ν4 = 365.48419(43) cm-1. Two A'-E' type bands with band origin frequencies of 1132 and 1134 cm-1 are also assigned, indicating that the 1492 band is assignable to ν3 + ν4, in contrast to the previous ν3 assignment. A simultaneous analysis of the 1127, 1132, 1134, 1492 cm-1 bands has been carried out to give 46 molecular constants for the ν3 + ν4 and ν4 states. The molecular constants of the ν3 + ν4 A' states are different from those of the E' state, because of an effect of vibronic interaction from the B2E′ electronic state to the ν3 + ν4 E' state.

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