Chrome Extension
WeChat Mini Program
Use on ChatGLM
VIPCreated with Sketch.

丙氨酸钴配合物氧合性能的实验和理论研究

Ke ZHOU,Fan YUE,Huamei CHEN, Le ZHOU,Jide WANG

Computers and Applied Chemistry（2018）

Cited 0|Views7
No score
Abstract
本文主要研究了两种氧载体Ala-Co(II)和Ala-Co(II)-Py氧合性质的差异.实验结果表明Ala-Co(II)-Py比Ala-Co(II)有更好的氧合性能.利用量子化学密度泛函理论的B3LYP方法, 在6-31G(d)水平上, 对其几何构型、电子结构、前线轨道进行了研究.理论计算表明Ala-Co(II)-Py氧合过程中金属Co(II)到O2的π*轨道电子转移增强, 氧合后构型稳定, 表现出很好的氧合可逆性.因此,在这类模型研究中, 认为Co(II)与轴向碱基Py配位后, Co离子可与双氧更好的键合.
More
Translated text
Key words
density functional theory,oxygen carriers,oxygenation property,alanine,pyridine
AI Read Science
Must-Reading Tree
Example
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined