Isomer selective IR experiments and correlated ab initio quantum chemical calculations support planar H-bonded structure of the 7-methyl adenine?adenine and stacked structure of the 9-methyl adenine?adenine base pairs
- 31 March 2004
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Physical Chemistry Chemical Physics
- Vol. 6 (10) , 2781-2785
- https://doi.org/10.1039/b316433k
Abstract
In this paper we show that the stacked structures of 9-methyl adenine⋯adenine are comparably stable as the most stable hydrogen bonded structures and that the calculated IR pattern of the stacked structures is in a very good agreement with the experimental spectrum. The pair 7-methyl adenine⋯adenine on the other hand shows a nearly planar hydrogen bond arrangement and no stacked structure was observed.Keywords
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