FeO4:: A unique example of a closed-shell cluster mimicking a superhalogen

被引：57

作者：

Gutsev, GL ^{[1
]}

Khanna, SN ^{[1
]}

Rao, BK ^{[1
]}

Jena, P ^{[1
]}

机构：

[1] Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA

来源：

PHYSICAL REVIEW A | 1999年 / 59卷 / 05期

关键词：

D O I：

10.1103/PhysRevA.59.3681

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

First-principles calculations based on the generalized gradient corrected density-functional theory reveal that iron tetraoxide (FeO4), in spite of its closed-shell structure, has an electron affinity that is larger than that of any known halogen atom. This novel property is shown to be a manifestation of the special bonding characteristics of d-electron systems and can play an important role in chemical and biological processes. [S1050-2947(99)01505-X].

引用

页码：3681 / 3684

页数：4

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