Reactivity of 2,6-Dichloropurine Ribonucleoside Studied by 35Cl NQR Spectroscopy

. 2,6-Dichloropurine ribonucleoside is a precursor in the potential synthesis of anticancer and antiviral drugs. 35 Cl 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...

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Bibliographic Details
Published in:Applied magnetic resonance 2008-07, Vol.34 (1-2), p.47-53
Main Authors: Dobak, I., Ostafin, M., Poleshchuk, O. Kh, Milecki, J., Nogaj, B.
Format: Article
Language:English
Subjects:
Atoms and Molecules in Strong Fields
Chlorine
Density functional theory
Electronic structure
Laser Matter Interaction
Nuclear quadrupole resonance
Organic Chemistry
Parameters
Physical Chemistry
Physics
Physics and Astronomy
Quadrupoles
Solid State Physics
Spectroscopy/Spectrometry
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Summary:. 2,6-Dichloropurine ribonucleoside is a precursor in the potential synthesis of anticancer and antiviral drugs. 35 Cl 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 35 Cl 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.
ISSN:0937-9347
1613-7507
DOI:10.1007/s00723-008-0091-y