原子与分子物理学报2011，Vol.28Issue(5)：881-888,8.DOI:10.3969/j.issn.1000-0364.2011.05.016
NnHn(n=3～7)氮氢化合物的结构质理论研究
Theoretical study on the structures and properties of NnHn(n——3～7)hydronitrogen compounds
毛双 1蒲雪梅 2谭英雄 1李来才 1田安民2
作者信息
- 1. 四川师范大学化学学院,成都610068
- 2. 四川大学化学学院,成都610064
- 折叠
摘要
Abstract
Geometric structures and energy properties of fifty-three isomers of N(1HII(w = 3 - 7) hydroni-trogen compounds have been studied. Atoms in molecules (AIM) and nature bond orbital(NBO)theories are applied to analyze the bond nature and the relative stability. The hyperconjugation between lone-pair of nitrogen atoms and nitrogen-nitrogen bonds, or among nitrogen-nitrogen bonds play a significant role on the nitrogen-nitrogen bond length. The atomic group energy and formation heat of compounds were compared using the atomic group method. Some relationships between the stability and structure of hydronitrogen were obtained by predicting the stability of these compounds. The results provided a novel method and new data to predict the stability of hydronitrogen compounds.关键词
氮氢化合物/相对稳定性/几何构型/原子基团法Key words
hydronitrogen compound,relative stability, geometric structure,atomic group method分类
化学化工引用本文复制引用
毛双,蒲雪梅,谭英雄,李来才,田安民..NnHn(n=3～7)氮氢化合物的结构质理论研究[J].原子与分子物理学报,2011,28(5):881-888,8.
