engleski

A Semiempirical Study of Intramolecular Hydrogen-bonding in some Naphthazarin Derivatives

Structural and energetic properties of some derivatives of naphthazarin are considered by the semiempirical AM1 method. It is shown that these systems, possessing intramolecular hydrogen bonds, are qualitatively well described at the AM1 level or theory. This conclusion is supported by a good qualitative agreement with available experimental data. The strength of the intramolecular hydrogen bond is briefly discussed. It appears that their energies are roughly additive.

X-Ray-diffraction; AM1; calculations

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