期刊论文

中文

长春师范学院学报：自然科学版

1008-178X

2006

25

2

28-30

10.3969/j.issn.1008-178X-B.2006.02.009

本校为第一机构

为了引导和构建结构决定性质教学思想,通过硝基取代直链型脂肪族羧酸化合物的空间构象和电子结构分析,α-硝基癸酸羧基C-C单键旋转最高能垒达90.4286kcal/mol,羧基的OH与硝基之间空间效应较大.阐明硝基取代羧酸化合物的电荷分布与化学反应性能的关系.

In this paper, the relationship between structure and reactivity of nitro - aliphatic acids has been discussed via the stereo effect and electronic structure analysis of nitro-aliphatic acids,respectively. In the nitro-capric acid, a potential energy plot for rotation about the α- C1 - C2 bond is 90.4286 kcal/mol. The electric charge of nitro - aliphatic acid is distributed and expounded the relation between structure and reactivity of nitro- aliphatic acids ：Some...