PEARSON HARD-SOFT ACID-BASE PRINCIPLE AND THE HETEROLYTIC DISSOCIATIVE VERSION OF PAULING BOND-ENERGY EQUATION

PEARSON HARD-SOFT ACID-BASE PRINCIPLE AND THE HETEROLYTIC DISSOCIATIVE VERSION OF PAULING BOND-ENERGY EQUATION
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DOI:
10.1039/dt9920001855
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发表时间:
1992-06-07
期刊:
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS
影响因子:
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通讯作者:
DATTA, D
DATTA, D
中科院分区:
其他
文献类型:
--
作者:
DATTA, D

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它们之间的对应关系参数最近开发的,它表征的结合位点的离子,和Klopman的前沿轨道能量已被建立,表明伽马确实代表离子的硬度。它表明,γ可以用来描述的极性的A-B键,其中A是一个酸和B的碱。皮尔逊软硬酸碱原理也意味着酸和碱在AB + CD可逆AC + B D型交换反应中选择性地相互作用,以便在它们之间尽可能地形成极性相似的键。
A correspondence between they parameter recently developed, which characterises the binding site of an ion, and Klopman's frontier-orbital energy has been established to show that gamma does represent the hardness of an ion. It is shown that gamma can be used to describe the polarity of an A-B bond where A is an acid and B a base. Also that Pearson's hard-soft acid-base principle means that acids and bases interact selectively in an exchange reaction of the type AB + CD reversible AC + B D so as to form bonds of similar, to the extent possible, polarity between themselves.