Campargue A, Bertseva E, Naumenko O
Laboratoire de Spectrométrie Physique (associated with CNRS UMR C5588), Université Joseph Fourier de Grenoble, Saint-Martin-d'Hères Cedex, 38402, France
J Mol Spectrosc. 2000 Nov;204(1):94-105. doi: 10.1006/jmsp.2000.8192.
The absorption spectrum of HDO has been recorded by Intracavity Laser Absorption Spectroscopy in the 16 300-16 670 and 18 000-18 350 cm(-1) spectral regions corresponding to the weak 2nu(2) + 4nu(3) and nu(2) + 5nu(3) bands, respectively. The nu(2) + 5nu(3) band centered at 18 208.434 cm(-1) was found almost isolated and has been satisfactorily reproduced in the frame of the effective Hamiltonian model. On the other hand, the 2nu(2) + 4nu(3) band at 16 456.201 cm(-1) is strongly perturbed as the (0 2 4) bright state is involved in a complex interaction scheme including the (1 0 4), (5 0 1), (1 5 2), and (1 11 0) states. The rovibrational assignment of these interacting states was greatly helped by the high-accuracy ab initio predictions performed by D. Schwenke and H. Partridge [J. Chem. Phys. 000-000 (2000)]. They could be partly modeled by an effective Hamiltonian which has allowed the assignment and reproduction of most of the observed transitions. Copyright 2000 Academic Press.
通过腔内激光吸收光谱法记录了HDO在16300 - 16670和18000 - 18350cm⁻¹光谱区域的吸收光谱，这两个区域分别对应于弱的2ν₂ + 4ν₃和ν₂ + 5ν₃带。以18208.434cm⁻¹为中心的ν₂ + 5ν₃带几乎是孤立的，并且在有效哈密顿量模型框架内得到了令人满意的再现。另一方面，位于16456.201cm⁻¹的2ν₂ + 4ν₃带受到强烈扰动，因为(0 2 4)亮态参与了一个复杂的相互作用方案，其中包括(1 0 4)、(5 0 1)、(1 5 2)和(1 11 0)态。D. Schwenke和H. Partridge [《化学物理杂志》000 - 000 (2000)]所进行的高精度从头算预测极大地帮助了这些相互作用态的振转归属。它们可以部分地用一个有效哈密顿量来建模，该哈密顿量使得能够对大多数观测到的跃迁进行归属和再现。版权所有2000年学术出版社。
