E ffect Br substitutio n on the s tructure and intra molecular hydrogen bonding streng th of naphthazarin: DFT an d NBO stu dies

۵, ۸-D ihydroxy-۱, ۴-naphtho quinone, co mmonly kno wn as naph thazarin (h ereafter NZ) , is a simpl e model for an important group of compounds, perylenequi nones, alkannin and shik onin. These are biologically active pigments obtainable from natural sources. This compound has been extensively studied theoretically and experimentally. T he antitumor and antiviral activities of these compounds have attrac ted attentions to study the photochemical properties of NZ and its halogen substitu tes [۱–۴].

کلیدواژه ها:

Naph thazarin ، Bromonaphtha zarin ، Intra molecular hydrogen bond ، DFT ، NB O