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首页> 外文期刊>Journal of Molecular Spectroscopy >The absorption spectrum of HDO in the 16 300-16 670 and 18 000-18 350 cm(-1) spectral regions
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The absorption spectrum of HDO in the 16 300-16 670 and 18 000-18 350 cm(-1) spectral regions

机译:HDO在16 300-16 670和18 000-18 350 cm(-1)光谱区域的吸收光谱

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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 2v(2) + 4v(3) and v(2) + 5v(3) bonds, respectively. The v(2) + 5v(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 2v(2) + 4v(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. (C) 2000 Academic Press. [References: 18]
机译:HDO的吸收光谱已通过腔内激光吸收光谱法在与弱2v(2)+ 4v(3)和v(2)对应的16 300-16 670和18 000-18 350 cm(-1)光谱区域中记录)+ 5v(3)键。发现以18 208.434 cm(-1)为中心的v(2)+ 5v(3)带几乎是孤立的,并且已经在有效的汉密尔顿模型框架中令人满意地再现了。另一方面,在16 456.201 cm(-1)处的2v(2)+ 4v(3)波段受到强烈干扰,因为(0 2 4)亮态涉及包括(1 0 4)的复杂相互作用方案,(5 0 1),(1 5 2)和(1 11 0)状态。 D. Schwenke和H. Partridge进行的高精度从头算的预测极大地帮助了这些相互作用状态的振动分配。化学物理000-000(2000)]。它们可以通过有效的哈密顿量部分建模,该哈密顿量允许分配和再现大多数观察到的跃迁。 (C)2000学术出版社。 [参考:18]

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