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Study of anharmonic effects in the IR spectrum of a solution of CF3Br in liquid argon

机译:液态氩中CF3Br溶液红外光谱中的非谐效应研究

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摘要

The vibrational spectrum of CF3Br with the natural abundance ratio of isotopologues is studied in solutions in liquid Ar at T = 90 K in the frequency range 4000 - 400 cm(-1) with a resolution of 0.1 cm(-1) for the concentration range 3.1 x 10(-7) - 6.3 x 10(-3) mol %. The parameters of the vibrational spectrum of the molecule are determined: the frequencies are measured accurate to +/- 0.1 cm(-1), and the transition probabilities are found up to the fourth order inclusive. One hundred fifty absorption bands of CF3Br are interpreted, including the bands belonging to all the isotope modifications of this compound; the halfwidths of these bands are determined. For all the fundamental frequencies, the isotope shifts are obtained. Vibrational l- resonance is studied. Using the experimental data obtained and taking into account this resonance, a complete set of parameters describing the experimental frequencies with the error delta approximate to 0.3 cm(-1) was found. This set consists of 6 harmonic frequencies and 30 anharmonicity constants, including the constants r(ik) related to vibrational l-resonances.
机译:研究了CF3Br在同位素Ar中的自然丰度比在T = 90 K的溶液中的振动谱,频率范围为4000-400 cm(-1),分辨率为0.1 cm(-1) 3.1 x 10(-7)-6.3 x 10(-3)摩尔%。确定了分子的振动光谱的参数:频率被精确地测量到+/- 0.1 cm(-1),并且找到了包括四阶在内的跃迁概率。解释了CF3Br的150条吸收带,包括该化合物所有同位素修饰的带;确定这些频带的半宽度。对于所有基本频率,都可获得同位素位移。研究了振动共振。使用获得的实验数据并考虑到这种共振,发现了描述实验频率的完整参数集,误差增量约为0.3 cm(-1)。该集合由6个谐波频率和30个非谐常数组成,包括与振动l共振相关的常数r(ik)。

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