# ESTIMATION OF EQUILIBRIUM STRUCTURES FROM ZERO-POINT ROTATIONAL CONSTANTS.

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/15821

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 Title: ESTIMATION OF EQUILIBRIUM STRUCTURES FROM ZERO-POINT ROTATIONAL CONSTANTS. Creators: Watson, J. K. G. Issue Date: 1969 Publisher: Ohio State University Abstract: It is shown that Costain's equation $I_{s} = {^{1}/_{2}} (I_{0} + I_{e})$ between the substitution, zero-point and equilibrium moments of inertia holds if the isotopic substitution can be treated by first-order perturbation theory. Thus I may be determined from the isotopic variation of the rotational constants, and with enough isotopes an equilibrium structure can be obtained. The disadvantages of the method are: (i) all singly-and a large number of doubly-substituted isotopic molecules are required; (ii) the isotopic changes in moments of inertia must be measured very accurately to give adequate accuracy in the structure. The main advantage is that this method should be less subject to the anomalies that arise in attempts to obtain all the rotation-vibration $\alpha$ constants directly. Description: Author Institution: Department of Chemistry, The University URI: http://hdl.handle.net/1811/15821 Other Identifiers: 1969-R-7