Nucleophilicity/electrophilicity excess in analyzing molecular electronics

被引：0
|
作者：
Roy, D. R.
Subramanian, V. [1 ]
Chattaraj, P. K.
机构：
[1] Indian Inst Technol, Dept Chem, Kharagpur 721302, W Bengal, India
[2] Cent Leather Res Inst, Chem Lab, Madras 600020, Tamil Nadu, India
来源：
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY | 2006年 / 45卷 / 11期
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D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is reported here in terms of density functional theory based global and local reactivity descriptors. Associated intermolecular reactivity pattern among the related molecules of various categories is also studied. A new local reactivity descriptor, nucleo(electro)philicity excess is designed for this purpose. The findings will provide important inputs towards the fabrication of the material required for molecular electronics.
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页码：2369 / 2380
页数：12
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