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Microwavea-Dipole Transitions of CH2DOH and CHD2OH in Excited Torsional States
Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 1998-12-01 , DOI: 10.1006/jmsp.1998.7719
Quade 1 , Liu , Mukhopadhyay , Su
Affiliation  

Previously identified, measured, and rotationally assigned but unpublished J = 0-1 and 1-2 microwave a-dipole lines for excited states of the torsion for CH2DOH and CHD2OH are given torsional assignments for the first four excited states. The troublesome assignments were for the K-1 = 0 lines of the o2 state of CH2DOH and the e2 state of CHD2OH, where a resonance is found for the J0J levels. The assignment for these states was facilitated by combination differences with the b- or c-dipole intratorsional state transitions, relative intensities, and FIR combination differences for the e2 and e3 states of CH2DOH. A few new b- and c-dipole assignments are reported for o2 of CH2DOH and e2 of CHD2OH. Transitions for these two states have been analyzed to estimate the strength of the resonant interaction and energy difference for the levels involved and to estimate how well the theory is predicting the K-1-dependent torsional energy levels. The empirically determined DeltaB and DeltaC from nonrigidity for each species for the four excited states should prove helpful for future calculations of vibration-internal rotation-overall rotation interactions in these molecules. Copyright 1998 Academic Press.

中文翻译:

CH2DOH 和 CHD2OH 在激发扭转状态下的微波偶极跃迁

先前已确定、测量和旋转分配但未发表的 J = 0-1 和 1-2 微波 a 偶极子线,用于 CH2DOH 和 CHD2OH 的扭转激发态被赋予前四个激发态的扭转分配。麻烦的分配是针对 CH2DOH 的 o2 态和 CHD2OH 的 e2 态的 K-1 = 0 线,其中发现了 J0J 能级的共振。CH2DOH 的 e2 和 e3 状态的 b 或 c 偶极内扭转状态转换、相对强度和 FIR 组合差异的组合差异促进了这些状态的分配。一些新的 b-和 c-偶极子分配被报告为 CH2DOH 的 o2 和 CHD2OH 的 e2。已经分析了这两种状态的转变,以估计共振相互作用的强度和所涉及能级的能量差,并估计理论预测 K-1 相关扭转能级的程度。根据经验确定的 DeltaB 和 DeltaC 从每个物种的四个激发态的非刚性应该证明有助于未来计算这些分子中的振动-内部旋转-整体旋转相互作用。版权所有 1998 学术出版社。
更新日期:1998-12-01
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