Experimental and theoretical studies on M2X+(M=Li, Na; X=F, Cl)

Abstract

Mass spectrometric work was combined with ab initio quantum chemical calculations at the STO-3G level to examine the stability and structure of the ions Li2Cl+, Li2F+, Na2F+, Na2Cl+. The stability (based on M2X+ dissociation) order is Li2F+≳ (Na2F+, Li2Cl+) ≳Na2Cl+ for both theory and experiment. The calculations give all ions in the linear configuration.