Structure and electronic spectra of purine-methyl viologen charge transfer complexes.

ABSTRACT: The structure and properties of the electron donor-acceptor complexes formed between methyl viologen and purine nucleosides and nucleotides in water and the solid state have been investigated using a combination of experimental and theoretical methods. Solution studies were performed using UV-vis and (1)H NMR spectroscopy. Theoretical calculations were performed within the framework of density functional theory (DFT). Energy decomposition analysis indicates that dispersion and induction (charge-transfer) interactions dominate the total binding energy, whereas electrostatic interactions are largely repulsive. The appearance of charge transfer bands in the absorption spectra of the complexes are well-described by time-dependent DFT and are further explained in terms of the redox properties o

SUBMITTER: Jalilov AS 

PROVIDER: S-EPMC3930082 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature