Schwingungsberechnungen der käfigstrukturierten Molekülionen P7 3-, AS7 3- und Sb7 3-

Abstract

Normal coordinate analyses for the cage-like molecule ions P7 3-, As7 3- and Sb7 3- with C3 symmetry were performed, based on a very simple initial force field with three numerical parameters transferred from P4S3. FIR frequencies of Sb7 3- have been recorded. The force field was refined by adjusting the symmetry force constants to fit the observed frequencies. The final force fields were used to calculate the potential energy distribution terms (PED), the mean amplitudes of vibration and the first-order Coriolis coupling constants for the title molecule ions.