Determination of Molecular Structure from Microwave Spectroscopic Data

Abstract

A method is described for determining the position of an atom in a molecule from spectroscopic measurements on two isotopic species of the molecule. The method is applied to various types of molecules; explicit expressions are derived for linear, symmetric top, planar, and nonplanar asymmetric top molecules. The number of isotopic species on which measurements must be made to complete the structural determination, i.e., determine the position of every atom in the molecule, is discussed for various types of molecules. An application of the method to the determination of mass difference ratios is also considered.