Pi-stacked quadruply hydrogen-bonded dimers: pi-stacking influences H-bonding

D. Guo, R.P. Sijbesma, H. Zuilhof

Onderzoeksoutput: Bijdrage aan tijdschriftTijdschriftartikelAcademicpeer review

59 Citaten (Scopus)

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-2Engels
Pagina's (van-tot)3667-3670
TijdschriftOrganic Letters
Volume6
Nummer van het tijdschrift21
DOI's
StatusGepubliceerd - 2004

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