Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.