Shanshan Zhao

Publications (4)11.51 Total impact

• Article: Theoretical study on the charge transport property of Pt(CN(t)Bu)2(CN)2 nanowires induced by Pt···Pt interactions.

  Shanshan Zhao, Fei Yu, Guochun Yang, Hongyu Zhang, Zhongmin Su, Yue Wang
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  ABSTRACT: To deeply understand the charge-transporting nature of Pt(CN(t)Bu)(2)(CN)(2) nanowires induced by intermolecular Pt···Pt interactions, calculations based on first-principle band structure and Marcus theory have been performed. The calculated bandwidths of the valence band, conducting band, and the effective masses of hole and electron are almost equal. This suggests that this complex has ambipolar transport characteristics, in agreement with experimental results. Density of states analysis revealed that the hole transport resulted mainly from the Pt···Pt interactions, while the electron transport was derived mainly from the CN groups. The character of the frontier molecular orbitals, reorganization energies and transfer integrals in different directions also supports the calculated first-principle band structure. Moreover, an investigation into the intermolecular interaction energy of neighbors revealed that there is a remarkable relationship between the intermolecular interaction energy and the transfer integral.
  Dalton Transactions 05/2012; 41(24):7272-7. · 3.84 Impact Factor
• Article: Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound

  Chuandong Dou, Liang Han, Shanshan Zhao, Hongyu Zhang, Yue Wang
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  ABSTRACT: An electron donor−acceptor structured π-conjugated organic compound 1 composed of trifluoromethyl-biphenyl and cyano-stilbene-amine was designed and exhibited multi-stimuli-responsive fluorescence switching behaviors. The synthesized solid exhibited piezochromism in that grinding and heating could change the emission colors between orange-red and yellow. The amorphous 1 also showed interesting vapochromic behavior in that organic vapor could convert the yellow color into orange. The solution of 1 exhibited nearly no fluorescence at room temperature and intensive yellowish green emission at 77 K, while adding CF3COOH (TFA) resulted in green emissive state at room temperature and blue fluorescent state at 77 K.Keywords: stimuli-responsive; fluorescence; piezochromism; vapochromism; aggregation
  03/2011;
• Article: Diboron-containing fluorophores with extended ladder-type π-conjugated skeletons.

  Di Li, Zuolun Zhang, Shanshan Zhao, Yue Wang, Hongyu Zhang
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  ABSTRACT: A series of ladder type π-conjugated diboron complexes 1-4 have been designed and synthesized by a very simple synthetic procedure. Single crystals of complex 3 were grown and the molecular structure determined by X-ray diffraction analysis demonstrated that this type of diboron ladder has a rather planar skeleton. All complexes possess very high melting points (275-383 °C) and decomposition temperatures (T(d5): 343-400 °C), indicative of their high thermal stabilities. The electrochemical and photophysical properties as well as theoretical calculations were investigated, suggesting the possibility of these boron complexes as efficient emitters in optoelectronics.
  Dalton Transactions 02/2011; 40(6):1279-85. · 3.84 Impact Factor
• Article: Carbazolyl-contained phenol-pyridyl boron complexes: syntheses, structures, photoluminescent and electroluminescent properties.

  Zuolun Zhang, Dandan Yao, Shanshan Zhao, Hongze Gao, Yan Fan, Zhongmin Su, Hongyu Zhang, Yue Wang
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  ABSTRACT: A series of phenol-pyridyl boron complexes bearing carbazolyl-containing groups on boron centres have been designed and synthesized. The single crystals of complexes , and were grown, and the crystal structures were determined by X-ray diffraction analysis. All complexes possess very high melting points (346-385 degrees C) and decomposition temperatures (T(d5): 397-423 degrees C), indicative of their high thermal stabilities. The electrochemical and photophysical properties as well as theoretical calculations were also investigated. Typical three-layer electroluminescent (EL) devices based on these organoboron complexes exhibited white electroluminescence.
  Dalton Transactions 04/2010; · 3.84 Impact Factor