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首页> 外文期刊>Journal of Molecular Spectroscopy >THE MILLIMETER-WAVE ROTATIONAL SPECTRUM AND CORIOLIS INTERACTION IN THE TWO LOWEST EXCITED VIBRATIONAL STATES OF CHCLF2
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THE MILLIMETER-WAVE ROTATIONAL SPECTRUM AND CORIOLIS INTERACTION IN THE TWO LOWEST EXCITED VIBRATIONAL STATES OF CHCLF2

机译:CHCLF2的两个最低激发振动状态下的毫米波旋转光谱和小柱相互作用

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The millimeter-wave rotational spectrum of (CHClF2)-Cl-35 (Freon CFC-22) in the two lowest excited vibrational states,nu(9) and nu(6), was measured up to 470 GHz and assigned to J = 80. The data set consists of over 850 transitions for the two states and is reduced in two ways. For easy reproduction of the spectrum effective A- and S-reduction Watsonian sextic-level constants for each state are derived from fitting the data limited to J '' less than or equal to 50. The most satisfactory data reduction is, however, obtained by taking into account the Coriolis interaction between the two vibrational states; a simultaneous fit of all the data results in an accurate value for the interstate separation and in Coriolis coefficients, zeta(6,9)((a)) and zeta(6,9)((c)), and vibration-rotation constants, alpha, which are in good agreement with values from ab initio calculations. (C) 1995 Academic Press, Inc. [References: 17]
机译:在最高的470 GHz频率下测量了(CHClF2)-Cl-35(氟利昂CFC-22)在两个最低激发振动状态nu(9)和nu(6)的毫米波旋转光谱,并将其分配为J = 80数据集包含两个状态的850多个转换,并以两种方式进行缩减。为了轻松地再现频谱,有效的A和S缩减,每个状态的Watsonian性别水平常数是通过拟合限制为J''小于或等于50的数据得出的。然而,最令人满意的数据减少量为考虑到两个振动状态之间的科里奥利相互作用;同时拟合所有数据可得出准确的州际分离值以及科里奥利系数zeta(6,9)((a))和zeta(6,9)((c))以及振动旋转常数,即alpha,与从头算计算得出的值非常吻合。 (C)1995 Academic Press,Inc. [参考:17]

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