In this work “avoided or intended crossing” type perturbation has been observed in the OCD bending infrared band for several energy states. The perturbations are seen to be highly localized and mix the OCD states to produce extra lines through the intensity borrowing effect. Perturbation has been observed for the complementary P- and R- branch regions. The perturbations are analyzed quantum mechanically through an interaction Hamiltonian. Besides, symmetry breaking transitions have been observed in the -OCD bending band allowed by mixing of the wavefunctions of the symmetry species in the excited state. In the process of searching for the responsible states causing the avoided crossing interaction, highly perturbed transitions in the near-far-infrared (FIR) torsional vibrational band in the ground vibrational states have been observed. The perturbation observed in this case affects all rotational states of a given perturbed sub-state and is mediated through the kinetic energy by the asymmetry-like effects akin to “Coriolis interaction” in the molecule. This interaction mixes the eigenstates quite severely and allows the detection of many forbidden transitions, through the intensity borrowing effect. The useful data are presented in terms of essential figures and limited data sets. A simple method has been described which can be used as a signature of the perturbations. Improved wavenumbers for the -OCD bending band and of the forbidden transitions involving torsional vibrational transitions are presented. A major part of the data has been submitted as a depository. A complete analysis is in progress and more information is being looked at for this molecular species and similar asymmetrically deuterated species. To our knowledge these avoided crossing, vibrational symmetry mixing and the presence of a wide range of “forbidden transitions” have never been reported before for an asymmetric rotor molecule with internal rotation.

在这项工作中，已经在 OCD 弯曲红外波段中观察到了几种能态的“避免或有意交叉”类型的扰动。扰动被认为是高度局部化的，并且通过强度借用效应混合 OCD 状态以产生额外的线条。已经观察到互补 P 和 R 分支区域的扰动。通过相互作用哈密顿量对扰动进行量子力学分析。此外，通过混合激发态对称物质的波函数，在 -OCD 弯曲带中观察到对称破坏跃迁。在寻找导致避免交叉相互作用的负责状态的过程中，已经观察到地面振动状态中近远红外（FIR）扭转振动带中的高度扰动跃迁。在这种情况下观察到的扰动影响给定扰动子状态的所有旋转状态，并且通过类似于分子中“科里奥利相互作用”的不对称效应通过动能介导。这种相互作用非常严重地混合了本征态，并允许通过强度借用效应检测到许多禁止的跃迁。有用数据以基本数字和有限数据集的形式呈现。已经描述了一种可以用作扰动特征的简单方法。介绍了 -OCD 弯曲带和涉及扭转振动过渡的禁止过渡的改进波数。大部分数据已作为保管库提交。完整的分析正在进行中，并且正在研究有关该分子种类和类似的不对称氘化种类的更多信息。据我们所知，对于具有内部旋转的不对称转子分子，这些避免的交叉、振动对称混合和大范围“禁止跃迁”的存在以前从未报道过。