当前位置: X-MOL 学术J. Mol. Spectrosc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Rovibrational jet-cooled spectroscopy of the Kr–H2O van der Waals complex in the ν2 bending mode region of H2O
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-08-30 , DOI: 10.1016/j.jms.2021.111516
Y. Belkhodja , L.H. Coudert , P. Asselin

Five rovibrational bands of the Kr–H2O complex have been recorded in the ν2 bending region of H2O using a quantum cascade laser coupled to a pulsed slit supersonic jet. Four of them have been unambiguously assigned to the Σ and Π states in v2=1,111,110, and 212 rotational levels of the monomer based on ground state combination differences and similarities with the vibration–rotation tunneling states of Ar–H2O. One of the bands is tentatively assigned to a combination band with two quanta of intermolecular van der Waals stretching mode (νs). Due to the efficient rovibrational cooling in our pulsed supersonic expansion, all observed bands originate from the lowest lying states. Four of them are from the lowest ortho ground state Σe(101) and one of them is from the lowest para ground state Σe(000). The jet-cooled spectra have been analyzed in terms of a nearly free internal rotor model taking into account Coriolis couplings between close lying Σ and Π levels. Molecular parameters for the five upper vibrational states, band origin, rotational and centrifugal distortion constants have been accurately determined. The β parameter describing the Coriolis coupling between the Σ and Π states originating from the (212) state has also been obtained.



中文翻译:

在 H2O 的 ν2 弯曲模式区域中 Kr-H2O 范德华复合体的旋转振动射流冷却光谱

Kr-H 2 O 复合物的五个振动带已被记录在ν2使用耦合到脉冲狭缝超声速射流的量子级联激光器的 H 2 O弯曲区域。其中四个已明确分配给ΣΠ 状态在 v2=1,111,110, 和 212基于基态组合的差异和与 Ar-H 2 O的振动-旋转隧穿态的相似性,单体的旋转水平。其中一个带暂时分配给具有两个分子间范德华拉伸模式量子的组合带(ν)。由于我们的脉冲超音速膨胀中有效的振动冷却,所有观察到的波段都来自最低的状态。其中四个来自最低的正交基态Σ电子(101)其中之一来自最低的基态Σ电子(000). 考虑到紧密分布之间的科里奥利耦合,已经根据几乎自由的内部转子模型分析了射流冷却光谱ΣΠ水平。五种上部振动状态的分子参数、带原点、旋转和离心畸变常数已被准确确定。这β 描述之间的科里奥利耦合的参数 ΣΠ 源自(212) 状态也已获得。

更新日期:2021-09-08
down
wechat
bug