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 base pairs

Name: 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 base pairs
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Kabeláč, Martin; Plützer, Ch.; Kleinermanns, K.; Hobza, Pavel

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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 base pairs

1.

SYSNO ASEP	0100870
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Ostatní články
Title	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 base pairs
Title	Isomerově selektivní IČ experimenty potvzují existenci planarní vodíkově vázané struktury páru 7-methyl adenin...adenin a patrové struktury páru 9-methyl adenin...adenin
Author(s)	Kabeláč, Martin (UFCH-W) Plützer, Ch. (DE) Kleinermanns, K. (DE) Hobza, Pavel (UFCH-W)
Source Title	Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076 Roč. 6, - (2004), s. 2781-2785
Number of pages	5 s.
Language	eng - English
Country	GB - United Kingdom
Keywords	IR spectrum ; adenine ; normal models
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LN00A032 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ	AV0Z4055905 - UOCHB-X
Annotation	In this paper we show that the stacked structures of 9-methyl adenine...adenine are comparably stabe 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
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
Year of Publishing	2005

Number of the records: 1