電子雲價球分子組合模型

Valence Sphere Models Comprising of One- Dimensional Bead Chains: Polyhedranes as Molecular Assembly Puzzles

金必耀(Bih-Yaw Jin)

《化學》 77卷1期 (2019/03) Pp. 99-109

https://doi.org/10.6623/chem.201903_77(1).001

摘要

本文介紹一種製作價球模型的全新方法，運用多個預先製作的一維建構單元，組裝成分子在三度空間的價球模型，可以用來表現烷類分子的立體構造，與近似電子雲分佈，這包含各種線形、樹枝形、單環、多環到多面體等結構，以及許多六配位體系，例如鈣鈦礦晶體的面心立方堆積結構。特別有趣的一個應用是正多面體與所對應的分子結構，其中正四面體烷、立方烷、與正十二面體烷的價球模型，可以由數條等長的建構單元，以特定方式連結而成。組裝這些高對稱的多面體烷，好像是在解一個數學益智玩具，饒富趣味與挑戰性。

關鍵字

分子模型 ； 數學串珠 ； 烷類分子 ； 多面體烷 ； 鈣鈦礦結構

並列摘要

We introduce a novel molecular physical model which can be constructed by putting together several pre-made bead chains. This type of bead chain models can be utilized to construct valence sphere models of various linear, ring-like, tree-like and polycyclic alkane molecules and a few inorganic systems such as perovskite and so on. A particularly interesting family of molecules that can be constructed through this method is the polyhedranes, which include tetrahedrane, cubane, dodecahedrane, and related prismanes. Since the construction processes for these highly symmetric compounds are similar to solving nontrivial put-together puzzles, therefore, we can also call them as Bead Chain Puzzles (BC-Puzzles) inspired by the nanoscale polyhedra.

並列關鍵字

Molecular models ； Alkane ； Polyhedrane ； Bead Chain models ； Molecular combinatorial puzzles ； Mathematical beading