2,6-Dichloropurine ribonucleoside is a precursor in the potential synthesis of anticancer and antiviral drugs. 35Cl nuclear quadrupole resonance (NQR) studies on electronic structure and the character of C-Cl bonds may provide a valuable information about the difference in reactivity of chlorine atoms present in this compound. In this work 35Cl NQR frequencies, asymmetry parameters and double-bond character for both C-Cl bonds have been determined experimentally. These parameters were then compared with the corresponding theoretical values obtained by means of the density functional theory.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics