Samenvatting
The effects of p-stacking on the stability of multiply hydrogen-bonded systems are investigated using hybrid DFT calculations on p-stacked quadruply H-bonded dimers of ureidopyrimidinone in its different tautomeric forms. Both the strengths of the hydrogen bonds and the relative occurrence of tautomers are influenced by p-stacking; electrostatics and natural bond orbital analysis are used to explain these observations. Finally, these conclusions are independent of the precise nature of the multiply hydrogen-bonded systems, including the DNA base pairs.
Originele taal-2 | Engels |
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Pagina's (van-tot) | 3667-3670 |
Tijdschrift | Organic Letters |
Volume | 6 |
Nummer van het tijdschrift | 21 |
DOI's | |
Status | Gepubliceerd - 2004 |