Journal
CHEMISTRY-A EUROPEAN JOURNAL
Volume 21, Issue 12, Pages 4731-4738Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201406142
Keywords
azobenzene unit; cage compounds; photoresponsive behaviors; silsesquioxanes; time-dependent DFT(TDDFT)
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Funding
- Singapore National Science Scholarship
- A*STAR Computational Resource Centre (ACRC)
- National Natural Science Foundation of China [21274081]
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Mono- and octa-azobenzene-functionalized cage silsesquioxanes were easily synthesized by the reaction of 4-bromoazobenzene with monovinyl-substituted octasilsesquioxane and cubic octavinylsilsesquioxane through the Heck coupling reaction. Excited-state energies obtained from time-dependent density functional theory (TDDFT) and the CAM-B3LYP functional correlate very well with experimental trans-cis photoisomerization results from UV/Vis spectroscopy. These azobenzene-functionalized cages exhibit good thermal stability and are fluorescent with maximum emission at approximately 400nm, making them potential materials for blue-light emission.
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