ELECTRONIC STRUCTURE CALCULATIONS FOR METHYLENE AMIDOGEN, $CH_{2}N$
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Date
1979
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Ohio State University
Abstract
The electronic structure of the methylene amidogen radical, $CH_{2}N$, has been studied using many-body perturbation theory. Optimization of the structural parameters predicts $R_{e}^{CN} = 2.322 b, R_{e}^{CH} = 2.017$ b, and $\theta_{e}(NCH) = 122.5^{\circ}$. Fourth-order MPPT calculations including all single and double excitation diagrams for $CH_{2}N$ and HCN have been completed, and the results used to predict the heat-of-formation for $CH_{2}N$.
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