TY - JOUR
T1 - Fourier transform infrared spectroscopy of the ν2 and ν4 bands of NO3
AU - Fujimori, R.
AU - Shimizu, N.
AU - Tang, J.
AU - Ishiwata, T.
AU - Kawaguchi, K.
N1 - Funding Information:
The present study was supported by the Grant-in-Aid (Grant Nos. 21550009, and 21104003 ) from the Ministry of Education, Culture, Sports, Science and Technology of Japan .
PY - 2013
Y1 - 2013
N2 - High-resolution Fourier transform infrared spectra of the ν2 and ν4 bands of the 14N and 15N isotopic species of NO3 were observed in the 762, 742, 365 and 360 cm -1 regions. ΔK = 3 combination differences of the ground state were obtained by using data of the ν4 band combined with the ν3 + ν4 ← ν4 band data in the 1127 cm-1 region and the ν3 + ν4 band data in the 1492 cm-1 region, and the C0 constant was determined for the first time to be 0.2286274(57) cm-1 and 0.2286547(58) cm-1 for 14NO3 and 15NO3, respectively. The inertial defects derived from the observed B0 and C0 constants were in agreement with the calculated values obtained by using the Coriolis coupling constants ζ4 = -0.188 for 14NO3 and -0.156 for 15NO3 obtained from the analysis of the data. The ν2 band of 15NO3 was observed for the first time in the 742 cm-1 region. In contrast to the case of 14NO3 reported by Friedl and Sander [J. Phys. Chem. 91 (1987) 2771], the effect of the perturbation from the 2ν4 state was found to be small in 15NO3. However, Coriolis and l-type resonance terms were essential to explain the observed anomalies, such as the staggering in the K′ = 3 levels. From an analysis including such interactions, the vibrational energies have been determined for the isomers to be, ν2 = 762.3405(5), 2ν4(l = 0) = 751.809(18), 2ν4(l = 2) = 771.708(23) cm-1 for 14NO 3, and ν2 = 742.7120(3), 2ν4(l = 0) = 742.596(15), 2ν4(l = 2) = 761.219(30) cm-1 for 15NO3. Crown
AB - High-resolution Fourier transform infrared spectra of the ν2 and ν4 bands of the 14N and 15N isotopic species of NO3 were observed in the 762, 742, 365 and 360 cm -1 regions. ΔK = 3 combination differences of the ground state were obtained by using data of the ν4 band combined with the ν3 + ν4 ← ν4 band data in the 1127 cm-1 region and the ν3 + ν4 band data in the 1492 cm-1 region, and the C0 constant was determined for the first time to be 0.2286274(57) cm-1 and 0.2286547(58) cm-1 for 14NO3 and 15NO3, respectively. The inertial defects derived from the observed B0 and C0 constants were in agreement with the calculated values obtained by using the Coriolis coupling constants ζ4 = -0.188 for 14NO3 and -0.156 for 15NO3 obtained from the analysis of the data. The ν2 band of 15NO3 was observed for the first time in the 742 cm-1 region. In contrast to the case of 14NO3 reported by Friedl and Sander [J. Phys. Chem. 91 (1987) 2771], the effect of the perturbation from the 2ν4 state was found to be small in 15NO3. However, Coriolis and l-type resonance terms were essential to explain the observed anomalies, such as the staggering in the K′ = 3 levels. From an analysis including such interactions, the vibrational energies have been determined for the isomers to be, ν2 = 762.3405(5), 2ν4(l = 0) = 751.809(18), 2ν4(l = 2) = 771.708(23) cm-1 for 14NO 3, and ν2 = 742.7120(3), 2ν4(l = 0) = 742.596(15), 2ν4(l = 2) = 761.219(30) cm-1 for 15NO3. Crown
KW - FT IR spectroscopy
KW - Nitrate radical
KW - Vibration-rotation bands
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U2 - 10.1016/j.jms.2012.11.005
DO - 10.1016/j.jms.2012.11.005
M3 - Article
AN - SCOPUS:84872338169
SN - 0022-2852
VL - 283
SP - 10
EP - 17
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
IS - 1
ER -