The millimeter wave spectrum of the 13C16O dimer
The millimeter wave spectrum of the 13C16O dimer
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13C16O二聚体的毫米波光谱
DOI：
10.1016/j.jms.2003.10.009
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发表时间：
2004
期刊：
影响因子：
--
通讯作者：
A. McKellar
中科院分区：
文献类型：
--
作者：
L. Surin;D. N. Fourzikov;B. S. Dumesh;G. Winnewisser;Jian Tang;A. McKellar
首次研究了同位素取代的CO二聚体（13 C16 O）2的毫米波光谱，证实并扩展了最近的红外研究。在77- 180 GHz范围内的87个跃迁已被分配和分析的模型无关的项值计划涉及57个转动能级，J=0-8。这些级别可以分为7个“堆栈”，它们具有A−/B+或A+/B−的对称分类，K值为0或1。对于正常同位素，对称性和核自旋统计导致交替旋转能级丢失，但对于（13 C 16 O）2，所有能级都存在A和B对称性之间1：3的强度交替。这四个A−/B+堆叠之前没有被观测到，其中最低的一个确定了（13 C16 O）2的隧穿分裂为3.769 cm −1，略大于（12 C16 O）2的值3.731 cm −1。大量精确的实验数据，现在可用于CO二聚体，这应该导致更大的理论洞察其结构和隧穿动力学。
The millimeter wave spectrum of the isotopically substituted CO dimer, (13C16O)2, has been studied for the first time, confirming and extending a recent infrared study. Eighty-seven transitions in the 77–180GHz region have been assigned and analyzed in terms of a model-independent term value scheme involving 57 rotational levels with J=0–8. The levels can be classified into 7 “stacks” which have symmetry classifications of either A−/B+or A+/B−and K-values of either 0 or 1. For the normal isotope, symmetry and nuclear spin statistics cause alternate rotational levels to be missing, but for (13C16O)2all levels are present with an intensity alternation of 1:3 between A and B symmetries. The four A−/B+stacks have not previously been observed, and the lowest of them establishes the tunneling splitting of (13C16O)2to be 3.769cm−1, slightly larger than the (12C16O)2value of 3.731cm−1. A large amount of precise experimental data is now available for the CO dimer, which should lead to greater theoretical insight into its structure and tunneling dynamics.