Experimental and computational approaches on dipole moment of 5-aminoisoquinoline

The ground and excited state (S-1) dipole moments of 5-aminoisoquinoline (5-AIQ) are determined from solvatochromic shift method as a function of different solvent polarity functions. Dipole moment calculations using DFT and ab initio methods with different basis sets are performed. The experimental results show that the dipole moment in the excited state is higher than the ground state. (C) 2014 Elsevier B.V. All rights reserved.