Solar energy absorption in norbornadiene-quadricyclane system through electron donating or withdrawing substituents1

被引：0
作者：
L. Edjlali
E. Vessally
M. Abbasian
机构：
[1] Islamic Azad University,Tabriz Branch
[2] Islamic Azad University,Miyaneh Branch
[3] Payame Noor University,undefined
来源：
Russian Journal of Physical Chemistry A | 2011年 / 85卷
关键词：
solar energy; energy absorption; norbornadiene; quadricyclane; electron donating; electron withdrawing;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
An attempt is made to maximize the solar energy absorption in norbornadiene (1)-quadricyclane (2) system, through direct attachment of substituents at C1, C2, or C7 atoms of 1; calculating the corresponding energies at B3LYP/6-311++G** level of theory. The electron donating and electron withdrawing substituents of 1n-X, attached at C2, were suitable for both solar absorption bands and solar energy storage. DFT calculations indicate that the solar absorption bands of 12-X were shifted to the visible spectrum region through the electron withdrawing substituents more than through electron donating substituents.
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页码：816 / 820
页数：4
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