G Model
CCLET 3487 1–5
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1
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[50]. The calculated HOMO and LUMO orbital energy levels were
summarized in Fig. 5. As shown in Fig. 5, for BOPHY 1 and 2, the
HOMO are distributed at the BOPHY core, and the LUMO are
localized at the BOPHY core and two phenyl groups of the adjacent
Br atoms. In addition, the BOPHY core is almost coplanar.
Furthermore, the energy gap between the HOMO and LUMO of
the BOPHY 1 (2.95 eV) is slightly smaller than that of PS 2 (2.98 eV)
(Fig. 5), which is in good agreement with the red shift in the
absorption observed between 1 and 2.
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4. Conclusion
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In summary, dibromo substituted BOPHY dye 2 was success-
fully obtained in 64% yield by the reaction of BOPHY 1 with
Br . BOPHY 2 as a photosensitizer was able to high-efficiently
2
generate the singlet oxygen. Singlet oxygen generation by 2 can
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This work was supported by NNSFC (No. 21542004), the
Program for Liaoning Excellent Talents in University (No.
LJQ2015087), the Public Research Foundation of Liaoning Province
for the Cause of Science (No. 2014003009), Educational Depart-
ment of Liaoning Province (No. L2014170), Science and Technology
Key Project of Liaoning Province (No. 2013304007), the Scientific
Research Foundation for the Returned Overseas Chinese Scholars,
State Education Ministry, and the start-up funds from Shenyang
University of Chemical Technology.
17 (2011) 2939–2947.
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