Visualization of Orbitals (12) - Carbon sp3, sp2 and sp Hybrid Orbitals

被引：0

作者：

Tokita, Sumio ^{[1
]}

机构：

[1] Saitama Univ, Sakura Ku, 255 Shimo Ohkub, Saitama 3388570, Japan

来源：

JOURNAL OF COMPUTER CHEMISTRY-JAPAN | 2023年 / 22卷 / 01期

关键词：

many electron atom; atomic orbital; covalent bond; valence state; valence bond theory; molecular orbital method; valence state electron pair repulsion;

D O I：

10.2477/jccj.2022-0020

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Mathematical expressions of carbon sp(3), sp(2) and sp hybrid orbitals were visualized by various techniques such as orbital picture, real 3-dimensional probability density picture in a glass block, and isosurface representation. Orbital picture and probability density picture were especially useful for recognizing equivalency and directional characteristics of the chemical bonds. Isosurface representation uniquely showed the difference of s or p characters between these three hybrid orbitals.

引用

页数：6

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