Ulenikov ON, Hirota E, Akiyama M, Alanko S, Koivusaari M, Anttila R, Guelachvili G, Tolchenov RN
The Graduate University for Advanced Studies, Hayama, 240-01, Japan
J Mol Spectrosc. 1996 Dec;180(2):423-32. doi: 10.1006/jmsp.1996.0266.
The infrared spectrum of doubly deuterated methane CH2D2 has been recorded in the region from 1900 to 2400 cm-1 at almost Doppler-limited resolution by using two high-resolution Fourier transform spectrometers. The vibrational bands observed include 2nu4, nu4 + nu7, 2nu7, nu2, nu8, nu4 + nu9, and nu7 + nu9, which were analyzed by taking into account Coriolis and Fermi interactions among them and also those with nu4 + nu5, nu3 + nu7, and nu5 + nu7. Most of the centrifugal distortion constants were constrained to appropriate values, while the vibrational term value and three rotational constants in each of the seven excited states were adjusted along with Coriolis and Fermi interaction parameters by the least-squares analysis of the observed spectrum. The vibration-rotation interaction constants alphas thus determined for the nu2 and nu8 states were combined with those of other fundamental states already published to calculate the equilibrium C-H distance.
利用两台高分辨率傅里叶变换光谱仪,在1900至2400厘米⁻¹区域以几乎接近多普勒极限的分辨率记录了双氘代甲烷CH₂D₂的红外光谱。观察到的振动带包括2ν₄、ν₄ + ν₇、2ν₇、ν₂、ν₈、ν₄ + ν₉和ν₇ + ν₉,通过考虑它们之间以及与ν₄ + ν₅、ν₃ + ν₇和ν₅ + ν₇之间的科里奥利相互作用和费米相互作用对其进行了分析。大部分离心畸变常数被限制在适当的值,同时通过对观测光谱的最小二乘法分析,对七个激发态中每个态的振动项值和三个转动常数以及科里奥利和费米相互作用参数进行了调整。由此确定的ν₂和ν₈态的振动-转动相互作用常数α与已发表的其他基态的常数相结合,以计算平衡C-H距离。