Journal of Molecular Spectroscopy ( IF 1.4 ) Pub Date : 2021-03-31 , DOI: 10.1016/j.jms.2021.111449 Holger S.P. Müller , Arnaud Belloche , Frank Lewen , Brian J. Drouin , Keeyoon Sung , Robin T. Garrod , Karl M. Menten
Rotational spectra of methyl cyanide were recorded newly and were analyzed together with existing spectra to extend the global model of low-lying vibrational states and their interactions to at 920 cm−1. The rotational spectra cover large portions of the 36–1439 GHz region and reach quantum numbers J and K of 79 and 16, respectively. Information on the K level structure of CH3CN is obtained from IR spectra. A spectrum of around 717 cm−1, analyzed in our previous study, covered also the band. The assignments in this band cover 880–952 cm−1, attaining quantum numbers J and K of 61 and 13, respectively.
The most important interaction of appears to be with , , a previously characterized anharmonic resonance. We report new analyses of interactions with and , with and , and with and ; these four types of interactions connect all l substates of in energy to . A known interaction with was also analyzed, and investigations of the , and resonances with were improved, as were interactions between successive states with , mainly through new rotational data.
A preliminary single state analysis of the state was carried out based on rotational transition frequencies and on hot band data. A considerable fraction of the K levels was reproduced within uncertainties in its entirety or in part, despite obvious widespread perturbations in .
In addition to the interstellar detection of rotational transitions of methyl cyanide from within all vibrational states up to , we report the tentative detection of toward the main hot molecular core of the protocluster Sagittarius B2(N) employing the Atacama Large Millimeter/submillimeter Array.
中文翻译:
迈向低氰状态的相互作用的全球模型:旋转和旋转振动光谱 星际状态和暂定星际检测 Sgr B2(N)中的状态
记录了甲基氰化物的旋转光谱,并与现有光谱一起进行了分析,以扩展低层振动状态及其相互作用的全局模型。 在920 cm -1处。旋转光谱覆盖了36–1439 GHz区域的大部分,并且分别达到了79和16的量子数J和K。从IR光谱获得关于CH 3 CN的K能级结构的信息。一系列在我们先前的研究中分析,大约717 cm -1的范围还包括乐队。该频带的分配范围为880–952 cm -1,分别获得的量子数J和K为61和13。
最重要的互动 似乎与 , ,以前表征为非谐共振。我们报告了与 和 , 和 和 , 与 和 ; 这四种类型的相互作用将的所有l个子状态连接在一起 在精力上 。一个已知的 与...互动 还进行了分析,并对 , 和 与共鸣 以及连续状态之间的相互作用得到了改善 ,主要是通过新 旋转数据。
初步的单态分析 状态是根据旋转跃迁频率和 热点数据。尽管有明显的广泛扰动,但相当一部分的K水平全部或部分在不确定性内得以复制。。
除了星际探测,从所有振动状态一直到 ,我们报告了对的初步检测 使用Atacama大毫米/亚毫米阵列向射手座人马座B2(N)的主要热分子核方向移动。