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臭氧的ν1 + ν2 + 3ν3、ν2 + 4ν3和3ν1 + 2ν2谱带的谱线位置与强度

Line Positions and Intensities of the nu1 + nu2 + 3nu3, nu2 + 4nu3, and 3nu1 + 2nu2 Bands of Ozone.

作者信息

Mikhailenko S, Barbe A, Tyuterev VG, Regalia L, Plateaux JJ

机构信息

Groupe de Spectrometrie Moleculaire et Atmospherique, UFR Sciences, Reims Cedex 2, 51687, France

出版信息

J Mol Spectrosc. 1996 Dec;180(2):227-35. doi: 10.1006/jmsp.1996.0246.

Abstract

Using a Fourier transform spectrometer, we have recorded the spectra of ozone in the region of 4600 cm-1, with a resolution of 0.008 cm-1. The strongest absorption in this region is due to the nu1 + nu2 + 3nu3 band which is in Coriolis interaction with the nu2 + 4nu3 band. We have been able to assign more than 1700 transitions for these two bands. To correctly reproduce the calculation of energy levels, it has been necessary to introduce the (320) state which strongly perturbs the (113) and (014) states through Coriolis- and Fermi-type resonances. Seventy transitions of the 3nu1 + 2nu2 band have also been observed. The final fit on 926 energy levels with Jmax = 50 and Kmax = 16 gives rms = 3.1 x 10(-3) cm-1 and provides a satisfactory agreement of calculated and observed upper levels for most of the transitions. The following values for band centers are derived: nu0(nu1 + nu2 + 3nu3) = 4658.950 cm-1, nu0(3nu1 + 2nu2) = 4643.821 cm-1, and nu0(nu2 + 4nu3) = 4632.888 cm-1. Line intensities have been measured and fitted, leading to the determination of transition moment parameters for the two bands nu1 + nu2 + 3nu3 and nu2 + 4nu3. Using these parameters we have obtained the following estimations for the integrated band intensities, SV(nu1 + nu2 + 3nu3) = 8.84 x 10(-22), SV(nu2 + 4nu3) = 1.70 x 10(-22), and SV(3nu1 + 2nu2) = 0.49 x 10(-22) cm-1/molecule cm-2 at 296 K, which correspond to a cutoff of 10(-26) cm-1/molecule cm-2.

摘要

我们使用傅里叶变换光谱仪记录了臭氧在4600厘米⁻¹区域的光谱,分辨率为0.008厘米⁻¹。该区域最强的吸收归因于ν₁ + ν₂ + 3ν₃带,它与ν₂ + 4ν₃带存在科里奥利相互作用。我们已为这两个带确定了1700多个跃迁。为了正确再现能级计算,有必要引入(320)态,它通过科里奥利型和费米型共振强烈扰动(113)态和(014)态。还观测到了3ν₁ + 2ν₂带的70个跃迁。对Jmax = 50且Kmax = 16的926个能级进行的最终拟合给出均方根误差为3.1×10⁻³厘米⁻¹,并且为大多数跃迁的计算和观测高能级提供了令人满意的一致性。得出了以下带中心值:ν₀(ν₁ + ν₂ + 3ν₃)=4658.950厘米⁻¹,ν₀(3ν₁ + 2ν₂)=4643.821厘米⁻¹,以及ν₀(ν₂ + 4ν₃)=4632.888厘米⁻¹。测量并拟合了谱线强度,从而确定了ν₁ + ν₂ + 3ν₃和ν₂ + 4ν₃这两个带的跃迁矩参数。使用这些参数,我们得到了以下在296 K时的积分带强度估计值:SV(ν₁ + ν₂ + 3ν₃)=8.84×10⁻²²,SV(ν₂ + 4ν₃)=1.70×10⁻²²,以及SV(3ν₁ + 2ν₂)=0.49×10⁻²²厘米⁻¹/(分子·厘米⁻²),其对应于10⁻²⁶厘米⁻¹/(分子·厘米⁻²)的截止值。

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