evaluation of ground and excited state dipole moments of 2(3)-tetra(tert-butylphenoxy)phthalocyaninato zinc(ii) from solvatochromic data

This article presents a semi-empirical determination of ground state dipole moment (μg) and excited state dipole moment (μe) of 2(3)-tetra(tertbutylphenoxy) phthalocyaninato zinc(ii) (zntbpc) using the solvatochromic shift method, which is based on the onsager’s reaction field theory. a combined application of the bakshiev’s equation and the kawski-chamma- viallet’s equation was used to determine the ratio e/g while the use of the molecular-microscopic solvent polarity parameter yielded the term ∆µ (µe- µg). the dipole moment of zntbpc in its excited singlet state (µe=4.46d) is more than twice as much as that in its ground state (µg=2.14d). these values suggest that the higher charge separation is greater in the excited state of zntbpc than in its ground state.