Ulenikov ON, Onopenko GA, Tyabaeva NE, Schroderus J, Alanko S
Laboratory of Molecular Spectroscopy, Tomsk State University, Tomsk, 634050, Russia
J Mol Spectrosc. 2000 Mar;200(1):1-15. doi: 10.1006/jmsp.1999.8032.
High-resolution Fourier transform infrared spectrum of CH(3)D has been recorded in the region of the fundamental bands nu(3), nu(5), and nu(6) between 900 and 1700 cm(-1). High sensitivity of the equipment used as well as high accuracy of the recorded line positions gave the possibility of assigning the first-time transitions with the upper state J quantum number up to 23. In the analysis the new ground vibrational state information [O. N. Ulenikov, G. A. Onopenko, N. E. Tyabaeva, J. Schroderus, and S. Alanko, J. Mol. Spectrosc. 193, 249-259 (1999)] were used. In addition, modification of the Hamiltonian model of the interacting vibrational states (v(3) = 1), (v(5) = 1), and (v(6) = 1) allowed the theoretical description of numerous effects and peculiarities in the spectrum. In particular, sets of a(1)/a(2) splittings have been assigned and explained, not only for upper state K = 1 and 2 but also for K = 4 and 5. Moreover, unusually giant exotic splittings have been found for K = 7. The spectroscopic parameters reproducing the initial experimental energies with accuracy close to the experimental uncertainty have been determined. Copyright 2000 Academic Press.
已记录了CH(3)D在900至1700 cm(-1)之间的基频带ν(3)、ν(5)和ν(6)区域的高分辨率傅里叶变换红外光谱。所用设备的高灵敏度以及所记录谱线位置的高精度使得有可能首次对高达J = 23的上能级量子数的跃迁进行归属。在分析中使用了新的基态振动状态信息[O. N. 乌列尼科夫、G. A. 奥诺彭科、N. E. 季亚别娃、J. 施罗德鲁斯和S. 阿兰科,《分子光谱学杂志》193, 249 - 259 (1999)]。此外,对相互作用振动状态(v(3) = 1)、(v(5) = 1)和(v(6) = 1)的哈密顿模型进行修正,使得能够从理论上描述光谱中的许多效应和特性。特别是,不仅对上能级K = 1和2,而且对K = 4和5的a(1)/a(2)分裂组进行了归属和解释。此外,还发现了K = 7时异常巨大的奇特分裂。已确定了能以接近实验不确定度的精度再现初始实验能量的光谱参数。版权所有2000年,学术出版社。