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ROTATIONAL CONSTANTS AND GEOMETRICAL STRUCTURE OF THE $^{1,2}\Lambda_{2}$ STATES FOR BOTH $H_{2}CO$ AND $D_{2}CO$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/15412

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dc.creator Jones, V. T. en_US
dc.creator Coon, J. B. en_US
dc.date.accessioned 2006-06-15T16:43:01Z
dc.date.available 2006-06-15T16:43:01Z
dc.date.issued 1968 en_US
dc.identifier 1968-B-6 en_US
dc.identifier.uri http://hdl.handle.net/1811/15412
dc.description This work was supported by the United States Air Force Office of Scientific Research. en_US
dc.description Author Institution: Department of Physics, Texas A\&M University en_US
dc.description.abstract Double-minimum functions have been determined which fit the energy levels of the out-of-plane bending potential of the $^{1}A_{2}$ and $^{3}A_{2}$ states of both $H_{2}CO$ and $D_{2}CO$. The squares of the wave functions of the levels give the probability distribution for the out-of-plane bending angle $\theta$. The other three geometrical parameters are assumed to be rigid during the bending vibration. Effective values for the rigid parameters have been determined from the observed rotational constants by making trial calculations of the expectation values of the reciprocals of inertia. The effective geometrical structure was determined for each state and a corresponding set of rotational constants was determined for each vibrational level. It was found that the rotational constant $A(1^{+})$ is perturbed for both the $^{1}A_{2}$ and $^{3}A_{2}$ states of $H_{2}CO$. The use of a variable reduced mass allows the calculation of the bending angle at vibrational equilibrium in close agreement with the bending angles calculated by Dixon from an approximate SCF MO calculation. en_US
dc.format.extent 158248 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title ROTATIONAL CONSTANTS AND GEOMETRICAL STRUCTURE OF THE $^{1,2}\Lambda_{2}$ STATES FOR BOTH $H_{2}CO$ AND $D_{2}CO$ en_US
dc.type article en_US