Ab initio studies of molecules with N-C-O units: Part I. Methylaminomethanol, 1-methoxymethylamine and 1-methoxy-N-N-dimethyl-methylamine

Add time:09/09/2019    Source:sciencedirect.com

The conformations of various conformers of the molecules methylaminomethanol, 1-methoxymethylamine and 1-methoxy-N,N-dimethylmethylamine, all of which contain an N-C-O unit, were determined by an ab initio method using the 4-21G basis set and complete geometrical optimization. The results were interpreted in terms of anomeric interactions: the most stable conformers of all three molecules have their lone pairs antiperiplanar to their polar bonds.

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