Interaction of adenine Cu(II) complexes with BN-doped fullerene differentiates electronically equivalent tautomers

► BN-C60 serving as a sensor for differentiating tautomer's of adenine Cu(II) complexes. ► BN-doped fullerene interacted with adenine Cu(II) complexes were studied by DF calcs. ► Tautomers of adenine and their Cu(II) complexes differentiated by using energy gaps.