.png){kind=icon}
返回
A quantitative definition of hypervalency
.png){kind=icon}
OA
AI
DOI：10.1039/c5sc02076j.png)
.png){kind=icon}
.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
From the inception of Lewis' theory of chemical bonding, hypervalency has remained a point of difficulty that has not been fully resolved by the currently accepted qualitative definition of this term. Therefore, in this work, a quantitative measure of hypervalency has been developed. The only required input is the atomic charge map, which can be obtained from either quantum calculations or from experiment. Using this definition, it is found that well-known species such as O-3, CH2N2 and ClO4-, are indeed hypervalent, whilst others such as XeF4, PCl5 and SO42-, are not. Quantitative analysis of known species of general formulae XFnm-, XClnm-, and XOnm- shows that there are no fundamental differences in chemical bonding for hypervalent and non-hypervalent species. Nevertheless, hypervalency is associated with chemical instability, as well as a high degree of covalent rather than ionic bonding. The implications for accepted Lewis structure conventions are discussed.
Keyword:
EXPERIMENTAL CHARGE-DENSITY
THEORETICAL ELECTRON-DENSITY
OCTET RULE
10-C-5 BEARING
MOLECULES
BOND
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
7.4
论文数:
1.7W
被引数:
9.3W
机构
暂无机构信息
引用论文
.png){kind=icon}
THE ISOMERIZATION OF OXIRANE - STABLE .CH2OCH2.,.CH2CH2O., AND CHOCH3 AND THEIR COUNTERPART IONS
PREAI
分享收藏Exemplars and Counterexemplars Explanations for Image Classifiers, Targeting Skin Lesion Labeling
OAAI
OAAI分享收藏
查看更多内容