New analysis of the ν2, ν3, ν4, and ν6 bands of formaldehyde, H212C16O line positions and intensities in the 5-10 μm spectral region
New analysis of the ν2, ν3, ν4, and ν6 bands of formaldehyde, H212C16O line positions and intensities in the 5-10 μm spectral region
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DOI：
10.1016/s0022-2852(03)00207-8
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发表时间：
2003-10-01
影响因子：
1.4
通讯作者：
Flaud, JM
中科院分区：
文献类型：
--
作者：
Perrin, A;Keller, F;Flaud, JM
这项工作，除了其基本利益，主要是由甲醛的大气重要性。10-妈妈区域确实是一个可能的光谱域，在大气中检测这种分子，目前没有线参数可在大气数据库中的H2 CO在这个光谱范围内。使用文献中nu（3）、nu（4）和nu（6）带[J. Chem. Phys. 91（1989）646及其参考文献]和nu（2）带[J. Mol.光谱分析96（1982）353和其中的参考文献]和适当的理论模型，证明可以令人满意地再现实验数据并产生5-10 μ m区域的线位置和强度的列表。哈密顿模型考虑了扰动3（1）、4（1）和6（1）振动态能级的各种科里奥利型共振，以及耦合2（1）和3（1）能级的较弱非谐共振。这也是线强度计算的情况，其允许令人满意地再现逐线强度测量以及文献中可用的积分强度。(C)2003年爱思唯尔公司All rights reserved.
This work, besides its fundamental interest is mainly motivated by the atmospheric importance of formaldehyde. The 10-mum region is indeed a possible spectral domain for the detection of this molecule in the atmosphere and no line parameters are presently available in the atmospheric databases for H2CO in this spectral range. Using the experimental data available in the literature for the nu(3), nu(4), and nu(6) bands [J. Chem. Phys. 91 (1989) 646 and references therein] and for the nu(2) band [J. Mol. Spectrosc. 96 (1982) 353 and references therein] and adequate theoretical models it proved possible to reproduce satisfactorily the experimental data and to generate a list of line positions and intensities for the 5-10 mum region. The Hamiltonian model accounts for the various Coriolis-type resonances which perturb the energy levels of the 3(1), 4(1), and 6(1) vibrational states as well as for the weaker anharmonic resonances coupling the 2(1) and 3(1) energy levels. This is also the case for the line intensity calculations which allow one to reproduce satisfactorily the line by line intensity measurements as well as the integrated intensities available in the literature. (C) 2003 Elsevier Inc. All rights reserved.