信阳师范学院学报（自然科学版）2012，Vol.25Issue(4)：461-464,4.DOI:10.3969/j.issn.1003-0972.2012.04.010
cAMP的构象及其异构化反应的理论研究
Theoretical Study on Conformations and Isomerization Reaction Mechanism of Cyclic 3', 5'-adenosine Monophosphate
张爱华 1杨宝华1
作者信息
- 1. 首都医科大学燕京医学院,北京顺义101300
- 折叠
摘要
Abstract
The gas-phase conformations and isomerization reaction mechanism of cyclic 3', 5'-adenosine mono-phosphate (cAMP) were theoretically investigated using density functional theory at the B3LYP/6-31G* * level. The resuts showed that cAMP has six conformations and the relevant bond lengths with relevant torsion angle for optimized geometries in the gas phase which is agreement with the experimental result. While the potential energy surfaces of reaction path showed that the rotation isomerization reaction of the base relative to the sugar ring takes place easily.关键词
B3LYP/3',5'-环核苷单磷酸(CAMP)/旋转异构化反应Key words
B3LYP/3',5'-adenosine monophosphate/ rotation isomerization reaction分类
化学化工引用本文复制引用
张爱华,杨宝华..cAMP的构象及其异构化反应的理论研究[J].信阳师范学院学报（自然科学版）,2012,25(4):461-464,4.
