Two-bond C-13-C-13 spin-coupling constants in carbohydrates: Effect of structure on coupling magnitude and sign

被引:48
作者
Church, T
Carmichael, I
Serianni, AS
机构
[1] UNIV NOTRE DAME,DEPT CHEM & BIOCHEM,NOTRE DAME,IN 46556
[2] UNIV NOTRE DAME,NOTRE DAME RADIAT LAB,NOTRE DAME,IN 46556
基金
美国能源部;
关键词
coupling constants; two-bond C-13-C-13 spin-spin; conformational analysis;
D O I
10.1016/0008-6215(95)00311-8
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
An empirical projection method is described to predict the magnitudes and signs of two-bond C-13-C-13 spin-coupling constants ((2)J(CC)) in aldopyranosyl rings. The method has been applied primarily to the interpretation of (2)J(CCC) values, although the behavior of (2)J(COC) has also been examined in light of the new approach, producing results which may prove useful in the conformational analysis of O-glycosidic linkages in oligosaccharides. High-level ab initio calculations of (2)J(CC) values in model compounds were found to be in agreement with the predictions.
引用
收藏
页码:177 / 186
页数:10
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