Fourier Transform Infrared Spectroscopy of the ν2 and ν4 Bands of NO3
Fourier Transform Infrared Spectroscopy of the ν2 and ν4 Bands of NO3
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NO3 ν2 和 ν4 波段的傅里叶变换红外光谱
DOI：
10.1016/j.jms.2012.11.005
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发表时间：
2013
影响因子：
1.4
通讯作者：
and K. Kawaguchi
中科院分区：
文献类型：
--
作者：
R. Fujimori;N. Shimizu;T. Tang;T. Ishiwata;and K. Kawaguchi
在762、742、365和360cm−1区域观测到no3的14n和15n同位素的ν2和ν4波段的高分辨率傅里叶变换红外光谱。利用ν4波段数据与ν3+ν4←ν4波段数据在1127cm−1区域和ν3+ν4波段数据在1492cm−1区域结合得到了基态的组合差分ΔK=3，首次确定了14no3和15no3的c0常数分别为0.2286274(57)cm−1和0.2286547(58)cm−1。由观测到的b0和c0常数推导出的惯性缺陷与通过对数据分析得到的科里奥利耦合常数ζ4= - 0.188 （14no3）和- 0.156 （15no3）计算得到的值一致。15no3的ν2波段首次在742cm−1区域被观测到。与Friedl和Sander报道的14no3的情况相反[J]。理论物理。化学。91(1987)2771]，发现在15no3中，来自2ν4态的微扰的影响很小。然而，科里奥利和l型共振项对于解释观测到的异常是必不可少的，例如在K ' =3水平上的交错。通过包括这些相互作用在内的分析，确定了同分异构体的振动能：ν2=762.3405(5), 2ν4(l=0)=751.809(18)，对于14no3 ν2 (l=2)=771.708(23)cm−1，以及ν2=742.7120(3), 2ν4(l=0)=742.596(15), 2ν4(l=2)=761.219(30)cm−1。
High-resolution Fourier transform infrared spectra of the ν2and ν4bands of the14N and15N isotopic species of NO3were observed in the 762, 742, 365 and 360cm−1regions. ΔK=3 combination differences of the ground state were obtained by using data of the ν4band combined with the ν3+ν4←ν4band data in the 1127cm−1region and the ν3+ν4band data in the 1492cm−1region, and the C0constant was determined for the first time to be 0.2286274(57)cm−1and 0.2286547(58)cm−1for14NO3and15NO3, respectively. The inertial defects derived from the observed B0and C0constants were in agreement with the calculated values obtained by using the Coriolis coupling constants ζ4=−0.188 for14NO3and −0.156 for15NO3obtained from the analysis of the data. The ν2band of15NO3was observed for the first time in the 742cm−1region. In contrast to the case of14NO3reported by Friedl and Sander [J. Phys. Chem. 91 (1987) 2771], the effect of the perturbation from the 2ν4state was found to be small in15NO3. 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−1for14NO3, and ν2=742.7120(3), 2ν4(l=0)=742.596(15), 2ν4(l=2)=761.219(30)cm−1for15NO3.