Spectrometry and reactivity of benzanthrenyl and 1-hydroperylenyl anions

Article abstract of DOI:10.1016/0040-4020(95)01088-2

Charge distribution and reactivity of benzanthrenyl (1^-) and 1-methyl-1-hydroperylenyl anion (2^-) are examined by means of semiempirical calculations, NMR spectroscopy and reactions with electrophiles. Highest charge density and reactivity are located at position 7 of 1^- and the comparable position 12b of 2^-. A small degree of reactivity is located at positions 4 and 6 of 1^-, as shown by reactions. Generally, a good correlation between calculated charge distribution and charge distribution obtained from ¹³C NMR is observed.