Gas- and solution-phase energetics of the methyl α- and β-D-aldopentofuranosides

被引：29
|
作者：
Houseknecht, JB [1 ]
Lowary, TL [1 ]
Hadad, CM [1 ]
机构：
[1] Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2003年 / 107卷 / 30期
关键词：
D O I：
10.1021/jp027716w
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The conformational preferences of the furanose rings in methyl U.-D-arabinofuranoside (1), methyl beta-D-arabinofuranoside (2), methyl alpha-D-lyxofuranoside (3), methyl beta-D-lyxofuranoside (4), methyl alpha-D-ribofuranoside (5), methyl beta-D-ribofuranoside (6), methyl (alpha-D-xylofuranoside (7), and methyl l3-Dxylofuranoside (8) have been studied in the gas (B3LYP/6-31+G**//B3LYP/6-31G*) and aqueous (B3LYP/ 6-31+G**//SM5.42/BPW91/6-31G*) phases. The results of these theoretical investigations are compared to previous theoretical and experimental results to determine the northern and southern minima in solution for each glycoside.
引用
收藏
页码：5763 / 5777
页数：15
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