High-Resolution Rotational Spectrum, Dunham Coefficients, and Potential Energy Function of NaCl

氯化钠的高分辨率旋转光谱、邓纳姆系数和势能函数

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Abstract

We report laboratory spectroscopy for the first time of the J = 1-0 and J = 2-1 lines of Na(35)Cl and Na(37)Cl in several vibrational states. The hyperfine structure has been resolved in both transitions for all vibrational levels, which permit us to predict with high accuracy the hyperfine splitting of the rotational transitions of the two isotopologues at higher frequencies. The new data have been merged with all previous works at microwave, millimeter, and infrared wavelengths and fitted to a series of mass-independent Dunham parameters and to a potential energy function. The obtained parameters have been used to compute a new dipole moment function, from which the dipole moment for infrared transitions up to Δv = 8 has been derived. Frequency and intensity predictions are provided for all rovibrational transitions up to J = 150 and v = 8, from which the ALMA data of evolved stars can be modeled and interpreted.

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