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 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 and states in , and 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 (). 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 and one of them is from the lowest para ground state . The jet-cooled spectra have been analyzed in terms of a nearly free internal rotor model taking into account Coriolis couplings between close lying and levels. Molecular parameters for the five upper vibrational states, band origin, rotational and centrifugal distortion constants have been accurately determined. The parameter describing the Coriolis coupling between the and states originating from the () 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 和 状态在 , 和 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()。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其中之一来自最低的准基态. 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 和 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 描述之间的科里奥利耦合的参数 和 源自() 状态也已获得。