Ma Yanping, Dong Dandan, Wu Aimin, Dong Chuang
Key Lab of Materials Modification (Ministry of Education), School of Materials Science of Engineering, Dalian University of Technology , Dalian 116024, People's Republic of China.
State Key Laboratory of Marine Resource Utilization in South China Sea & Special Glass Key Laboratory of Hainan Province, School of Materials and Chemical Engineering, Hainan University , Haikou 570228, People's Republic of China.
Inorg Chem. 2018 Jan 16;57(2):710-717. doi: 10.1021/acs.inorgchem.7b02549. Epub 2017 Dec 27.
The present paper attempts to identify the molecule-like structural units in inorganic compounds, by applying the so-called "cluster plus glue atom model". This model, originating from metallic glasses and quasi-crystals, describes any structure in terms of a nearest-neighbor cluster and a few outer-shell glue atoms, expressed in the cluster formula [cluster](glue atoms). Similar to the case for normal molecules where the charge transfer occurs within the molecule to meet the commonly known octet electron rule, the octet state is reached after matching the nearest-neighbor cluster with certain outer-shell glue atoms. These kinds of structural units contain information on local atomic configuration, chemical composition, and electron numbers, just as for normal molecules. It is shown that the formulas of typical inorganic compounds, such as fluorides, oxides, and nitrides, satisfy a similar octet electron rule, with the total number of valence electrons per unit formula being multiples of eight.
本文试图通过应用所谓的“团簇加粘合原子模型”来识别无机化合物中的类分子结构单元。该模型起源于金属玻璃和准晶体，它根据最近邻团簇和一些外层粘合原子来描述任何结构，用团簇公式团簇表示。类似于正常分子中电荷在分子内转移以满足众所周知的八隅体电子规则的情况，在将最近邻团簇与某些外层粘合原子匹配后达到八隅体状态。这些结构单元包含有关局部原子构型、化学成分和电子数的信息，就像正常分子一样。结果表明，典型无机化合物（如氟化物、氧化物和氮化物）的化学式满足类似的八隅体电子规则，每个单位化学式的价电子总数为8的倍数。
