高达3600 cm−1的H13CNO的振动泛音谱:共振系统的网络

Sieghard Albert, Karen Keppler Albert, Manfred Winnewisser, Brenda P. Winnewisser
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引用次数: 15

摘要

对雷酸H13CNO在700 ~ 3600 cm−1范围内的红外光谱进行了分析。已经确定了90多个新的振动水平。给出了这些层次的幂级数系数。每一个振动能级及其转动能级都是局部或全局摄动的。通过使用先前已知的基本共振系统00010/00002和00100/00004,可以将大多数相互作用分类为科里奥利和/或费米型共振系统的大网络,类似于对亲本物种H12CNO的描述。此外,H13CNO的另一个基本共振被确定为01000/00111,从而得到体系00015/01000/00103/(00111),对应亲本种中涉及相同状态的共振。作为相互作用的结果,已经分配了许多所谓的“共振增强”旋转振动子带。对共振系统进行了识别和部分分析,首先借助于不同的化简项值表示,其次,通过确定e和f交叉点之间的j值分离。本文将讨论五种主要的谐振系统。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The Rovibrational Overtone Spectrum of H13CNO up to 3600 cm−1: A Network of Resonance Systems

The infrared spectrum of fulminic acid, H13CNO, has been analyzed in the range 700–3600 cm−1. More than 90 new vibrational levels have been identified. Power series coefficients of these levels are given.

Every vibrational level and its rotational levels are locally or globally perturbed. It was possible to classify most of the interactions into a grand network of Coriolis- and/or Fermi-type resonance systems, similar to that described for the parent species H12CNO, by using the previously known basic resonance systems 00010/00002 and 00100/00004. In addition, as for H12CNO, another basic resonance for H13CNO was identified as 01000/00111, leading to the system 00015/01000/00103/(00111), corresponding to a resonance involving the same states in the parent species. As a consequence of the interactions, many so-called “resonance-enhanced” rovibrational subbands have been assigned. The identification and partial analysis of the resonance systems have been carried out, first with the help of different representations of reduced term values and second, by determining the J-value separation between e and f crossing points. The five main resonance systems will be discussed in this paper.

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