SCHEDULED MAINTENANCE
Precise potential-energy function for the X1Σ+ state of hydrogen chloride
Abstract
Data for frequencies and wavenumbers of 896 rotational and vibrational–rotational transitions of gaseous hydrogen chloride, 1H35 Cl, 1H37 Cl, 2H35 Cl, 2H37 Cl, in the ground electronic state X1Σ+ have been analysed according to a method of stepwise merging in order to generate a precise potential-energy function essentially free of mass dependence, up to 0.52 of the dissociation limit. This dependence of the Born–Oppenheimer potential energy upon internuclear separation is given both in numerical form (R.K.R. method) and analytically according to the Dunham series expansion. Seven mass coefficients and 24 energy coefficients in mass-reduced form suffice to reproduce satisfactorily not only the fitted 896 frequencies and wavenumbers but also other data of 3HCl and 1H37 Cl not included in the fitting procedure.
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