ELECTRONIC STRUCTURE CALCULATIONS FOR METHYLENE AMIDOGEN, $CH_{2}N$

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1979

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Ohio State University

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The electronic structure of the methylene amidogen radical, CH2N, has been studied using many-body perturbation theory. Optimization of the structural parameters predicts ReCN=2.322b,ReCH=2.017 b, and θe(NCH)=122.5. Fourth-order MPPT calculations including all single and double excitation diagrams for CH2N and HCN have been completed, and the results used to predict the heat-of-formation for CH2N.

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