In:
Surface and Interface Analysis, Wiley, Vol. 32, No. 1 ( 2001-08), p. 53-56
Abstract:
Recent non‐contact atomic force microscopy (nc‐AFM) images of a deoxyribonucleic acid (DNA) base thymine (2,4‐dioxy‐5‐methylpyrimidine) vacuum‐deposited on a highly oriented pyrolytic graphite (HOPG) surface are interpreted by means of theoretical adsorption simulations, and the molecular geometry and the energetics of the adsorption system are estimated. The lowest‐energy dimer configuration was found to be the one in which the respective hydrogen on N1 and the oxygen on C6 of two thymine molecules hydrogen bond to each other. A surface unit cell structure was reproduced. Adsorption energy for the thymine pair on HOPG is rather small, amounting to only ∼1 kcal mol −1 , with small variations depending on the molecular orientation with respect to the substrate surface. The possibility of having a mirrored adsorption configuration in adjacent domains also is suggested. Copyright © 2001 John Wiley & Sons, Ltd.
Type of Medium:
Online Resource
ISSN:
0142-2421
,
1096-9918
Language:
English
Publisher:
Wiley
Publication Date:
2001
detail.hit.zdb_id:
2023881-2
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