Electronic structure and properties of the Li-, Na-, Be-, Mg hydroxides

The SCF-method is used to calculate the spectroscopic constants (equilibrium intranuclear distances, force constants quartery ones inclusive, normal oscillation frequencies and electric moments) of molecules and ions of Li-, Be-, Na- and Mg hydroxides. Some constants for diatomic fragments comprised in the investigated hydroxide molecules are also calculated, which permits to estimate the quality of the basis system chosen for the hydroxide calculation and to establish a number of regularities in the alteration of properties of diatomic fragments during the transition from oxides to hydroxides regulatirities of changes in the calculated properties in the series of the investigated molecules and hydroxide ions are discussed