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International Journal of Photoenergy
Volume 2016, Article ID 6765805, 9 pages
Research Article

A New Approach for Studying Bond Rupture/Closure of a Spiro Benzopyran Photochromic Material: Reactivity Descriptors Derived from Frontier Orbitals and DFT Computed Electrostatic Potential Energy Surface Maps

Nano-Photochemistry and Solarchemistry Labs, Department of Chemistry, Faculty of Science, Ain Shams University, Abbassia, Cairo 11566, Egypt

Received 1 November 2015; Revised 27 January 2016; Accepted 11 February 2016

Academic Editor: Mark van Der Auweraer

Copyright © 2016 M. S. A. Abdel-Mottaleb and Sarah N. Ali. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Citations to this Article [2 citations]

The following is the list of published articles that have cited the current article.

  • Pi-Xia Wang, Fu-Quan Bai, Zhi-Xiang Zhang, Yong-Peng Wang, Jian Wang, and Hong-Xing Zhang, “The theoretical study of substituent and charge effects in the conformational transformation process of molecular machine unit spiropyran,” Organic Electronics, vol. 45, pp. 33–41, 2017. View at Publisher · View at Google Scholar
  • M. S. A. Abdel-Mottaleb, M. Saif, M. S. Attia, M. M. Abo-Aly, and Sarah N. Mobarez, “Lanthanide complexes of spiropyran photoswitch and sensor: spectroscopic investigations and computational modelling,” Photochemical & Photobiological Sciences, 2018. View at Publisher · View at Google Scholar