Second Differences of Moments of Inertia in Structural Calculations: Application to Methyl-Fluorosilane Molecules

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Abstract
An extension and application of the method recently proposed by Pierce for the location of ``near‐axis atoms'' from spectroscopically determined moments of inertia is made. Equations are derived which are required for the application of the method to asymmetric top molecules with Cs symmetry. The method is applied to the determination of silicon coordinates in the molecules CH3SiH2F and CH3SiHF2. The experimental results are combined with results of previous microwave investigations of these molecules in order to determine their structures. Addition of each fluorine atom lowers the SiC distance. The SiF distance is lowered on adding the second fluorine. In the case of CH3SiHF2 the equilibrium conformation (staggered) is also determined.