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

页码：5763 / 5777

页数：15

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