离子共价性键是二元化学键

张永和

美国惠林研究院

 

长期以来,离子键和共价键的性质已经被视为孤立的或错误的二分法性质,没有两者之间的定量关系。

离子共价论改变了旧的键的离子性对共价性的二分法对立的定性关系,将元素的离子性 I(Z*,n*,Iz和共价性 C(rc, rc-1,n*rc-1) 和谐为统一的离子共价性序列

 

IC =. I(Z*,n*,Iz) I(Z*,n*,Iz)

 

它表示化合物均有其相对含量的离子性和共价性组分。这个序列中离子性和共价性呈相反顺序,离子共价性IC越大,则共价性越强,而离子性越弱,反之亦然。从离子共价性键参数函数可以查到:离子共价性、离子性、共价性和其它离子共价性参数和模式数据。

 

图1. LiF 的共价半径156pm < Li 的共价半径252pm

 

 

 

图2. 氢原子A的静电引力(A1和A2)与氢原子B的静电引力(B1和B2)总是不相同的。

图2. 氢原子A的静电引力(A1和A2)与氢原子B的静电引力(B1和B2)总是不相同的。

 

 

在此值得指出的是,并不存在纯离子键和纯共价键,如图1所示[4],最典型的离子化合物LiF的共价半径156pm由于共价键的轨道重叠而比Li原子的共价半径252pm小。所谓的纯共价键实际上也并不存在。图2显示,实际的氢分子由于共轭效应,空间位阻的影响以及相邻的基团的电负性的影响,相同原子的键长有一定的差异,这就有可能存在一些离子性质。 氢原子A的静电引力(A1和A2)与氢原子B的静电引力(B1和B2)总是不相同的。金属键是一种非定域共价键,氢键不是化学键,只是分子间力。因此,离子共价性键是二元化学键。纯离子和纯的共价性质是离子共价性的两个极端。所以离子共价性序列是离子性和共价性的相反程序:

 

 

 

[1]  Zhang, Y. Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales.    Int. J. Mol. Sci. 2010, 11, 4381-4406. IC-Model Full-Text

[2]  Zhang, Y.离子共价论, J. Am. huilin. Ins. 2011, 5 (B), 1-9

[3]  Zhang, Y. Electronegativities of Elements in Valence States and Their ...1 Electronegativities of  elements in valence states, Inorg. Chem.198221 (11), pp 3886–3889

[4]. Lower, S. Chemical bonds: covalent or ionic or what?. In Chem1 Virtual Textbook

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