C6-substituted purine derivatives: an experimental and theoretical 1H, 13C and 15N NMR study

0376544 - ÚOCHB 2013 RIV GB eng J - Článek v odborném periodiku
Procházková, Eliška - Šála, Michal - Nencka, Radim - Dračínský, Martin
C6-substituted purine derivatives: an experimental and theoretical 1H, 13C and 15N NMR study.
Magnetic Resonance in Chemistry. Roč. 50, č. 3 (2012), s. 181-186. ISSN 0749-1581. E-ISSN 1097-458X
Grant CEP: GA AV ČR KJB400550903
Výzkumný záměr: CEZ:AV0Z40550506
Klíčová slova: tautomerism * purine derivatives * conformational * DFT calculations * equilibria
Kód oboru RIV: CC - Organická chemie
Impakt faktor: 1.528, rok: 2012

We measured the 1H, 13 C and 15N chemical shifts for a series of purine derivatives. The experimental data were complemented with density functional theory (DFT) calculations. The comparison of the calculated and experimental chemical shifts provided us with information about the tautomer and conformational equilibria of the studied compounds.
Trvalý link: http://hdl.handle.net/11104/0208913