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首页> 外文期刊>The Journal of Chemical Physics >The dipole moment and infrared transition strengths of nitric oxide
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The dipole moment and infrared transition strengths of nitric oxide

机译:一氧化氮的偶极矩和红外跃迁​​强度

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The electric dipole moment function for NO(X (II)-I-2) is determined by nonlinear least-squares analysis of experimental data, including previously reported (Delta upsilon = 2)/(Delta upsilon= 1) transition branching ratios for upsilon' less than or equal to 13. Polynomial fits to the dipole moment function are determined over the range of internuclear separation from 0.97 to 1.50 Angstrom. The fitted dipole moment functions agree well with previous ab initio predictions, but differ somewhat at the larger internuclear separations. The observed dipole moment functions are used to compute rotationless Einstein coefficients for Delta upsilon = 1-4 vibrational transitions with upsilon'less than or equal to 20, The absolute Delta upsilon = 1 and Delta upsilon =2 Einstein coefficients are well determined by this analysis, especially for upsilon'less than or equal to 12. The results provide a firm basis for determinations of vibration-rotation emission intensities of NO(X (II)-I-2) in high-temperature or nonequilibrium chemiexcitation systems'. (C) 1998 American Institute of Physics. [References: 35]
机译:NO(X(II)-I-2)的电偶极矩函数由实验数据的非线性最小二乘分析确定,其中包括先前报道的upsilon的(Delta upsilon = 2)/(Delta upsilon = 1)过渡支化比。小于或等于13。在0.97至1.50埃的核间距范围内,确定与偶极矩函数的多项式拟合。拟合的偶极矩函数与先前的从头算起的预测非常吻合,但在较大的核间距之间存在一些差异。观测到的偶极矩函数用于计算upsilon小于或等于20的Delta upsilon = 1-4振动跃迁的无旋转爱因斯坦系数,通过此分析可以很好地确定Delta upsilon的绝对值= 1和Delta upsilon = 2的爱因斯坦系数,特别是对于小于或等于12的upsilon而言。结果为确定高温或非平衡化学激发系统中NO(X(II)-I-2)的振动旋转发射强度提供了坚实的基础。 (C)1998美国物理研究所。 [参考:35]

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