Quantum-chemical simulation of acyclic and cyclic forms of glucose in ethanol

被引：1
|
作者：
Volkova, T. G. [1 ]
Sterlikova, I. O. [2 ]
Soboleva, Yu. V. [1 ]
机构：
[1] Ivanovo State Univ, Ivanovo 153377, Russia
[2] Ivanovo State Med Acad, Ivanovo 153025, Russia
来源：
RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2014年 / 84卷 / 06期
关键词：
specific solvation; glucose; tautomerism; quantum-chemical simulation; CRYSTAL;
D O I：
10.1134/S1070363214060267
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Equilibrium between acyclic and cyclic forms of glucose in ethanol has been simulated by quantum chemistry methods. The cyclic form prevails in the ethanolic solution. Solvation of glucose molecules is accompanied by additional structurization, the effect being more prominent in the case of the linear form.
引用
收藏
页码：1212 / 1213
页数：2
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