Polyynes vs. cumulenes:: Their possible use as molecular wires

被引：19

作者：

Alkorta, I ^{[1
]}

Elguero, J ^{[1
]}

机构：

[1] CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

STRUCTURAL CHEMISTRY | 2005年 / 16卷 / 01期

关键词：

acetylene; cumulene; polyynes; carbon; allotrope;

D O I：

10.1007/s11224-005-1089-9

中图分类号：

O6 [化学];

学科分类号：

0703 [化学];

摘要：

Polyynes and cumulenes from 2-12 atoms have been calculated at the B3LYP/6-311++G** level and their energies compared using an isodesmic reaction. The chain length has been modeled empirically affording an equation that predicts substantial variation for long chains.

引用

页码：77 / 79

页数：3

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