中性多硝胺的分子和电子结构：21 世纪理论与实验的综述。

Molecular and Electronic Structures of Neutral Polynitrogens: Review on the Theory and Experiment in 21st Century.

机构信息

Department of Analytical Chemistry, Certification and Quality Management, Kazan National Research Technological University, K. Marx Street 68, 420015 Kazan, Russia.

出版信息

Int J Mol Sci. 2022 Mar 4;23(5):2841. doi: 10.3390/ijms23052841.

DOI:10.3390/ijms23052841

PMID:35269983

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8911370/

Abstract

The data on the existence and physicochemical characteristics of uncharged single element chemical compounds formed by nitrogen atoms and containing more than two nuclides of this element (from N to N, oligomeric and polymeric polynitrogens) have been systematized and generalized. It has been noticed that these data have a predominantly predictive character and were obtained mainly using quantum chemical calculations of various levels (HF, DFT, MP, CCSD etc.). The possibility of the practical application of these single element compounds has been considered. The review mainly covers articles published in the last 25 years. The bibliography contains 128 references.

摘要

已经对氮原子形成的含有超过两种该元素核素的中性单元素化学化合物（从 N 到 N，齐聚物和聚合多氮）的存在和物理化学特性的数据进行了系统和概括。已经注意到，这些数据主要具有预测性质，并且主要是使用各种水平的量子化学计算（HF、DFT、MP、CCSD 等）获得的。已经考虑了这些单元素化合物的实际应用的可能性。综述主要涵盖了过去 25 年发表的文章。参考文献包含 128 篇参考文献。