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Vol. 25 No. 13 (2013): Vol 25 Issue 13

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UV-Visible Absorption Study of Four-Substituted Norbornadiene-Quadricyclane System Through DFT Calculations

https://doi.org/10.14233/ajchem.2013.14454
L. Edjlali
Department of Chemistry, Tabriz Branch, Islamic Azad University, Tabriz, Iran
E. Vessally
Department of Chemistry, Miyaneh Branch, Islamic Azad University, Miyaneh, Iran

Corresponding Author(s) : L. Edjlali

l_edjlali@iaut.ac.ir

Asian Journal of Chemistry, Vol. 25 No. 13 (2013): Vol 25 Issue 13

Abstract

UV-visible absorption studies of norbornadiene (1X)/quadricyclane (2X) system were carried out by density functional theory (DFT), method using 6-311++G** basis set of the GAUSSIAN 98 program. The DFT calculations indicate that the solar absorption bands of norbornadiene were shifted to the visible spectrum region through the electron withdrawing substituents more than through electron donating substituents.

Keywords

UV-visible absorption Norbornadiene Quadricyclane Electron donating Electron withdrawing
Edjlali, L., & Vessally, E. (2013). UV-Visible Absorption Study of Four-Substituted Norbornadiene-Quadricyclane System Through DFT Calculations. Asian Journal of Chemistry, 25(13), 7633–7634. https://doi.org/10.14233/ajchem.2013.14454
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