Skoči na glavni sadržaj

Izlaganje sa skupa

A Semiempirical Study of Intramolecular Hydrogen Bonding in Some Naphthazarin Derivatives

Z. B. Maksić ; Ruđer Bošković Institute, Bijenička c. 54, 41001 Zagreb, Croatia
D. Margetić ; Ruđer Bošković Institute, Bijenička c. 54, 41001 Zagreb, Croatia
M. Eckert-Maksić ; Ruđer Bošković Institute, Bijenička c. 54, 41001 Zagreb, Croatia


Puni tekst: engleski pdf 17.969 Kb

str. 69-76

preuzimanja: 267

citiraj


Sažetak

Structural and energetic properties of some derivatives of naphthazarin are considered by the semiempirical AMI method. It is shown that these systems, possessing intramolecular hydrogen bonds, are qualitatively well described at the AMI level of 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.

Ključne riječi

Hrčak ID:

137257

URI

https://hrcak.srce.hr/137257

Posjeta: 467 *