Citation:
ZHANG Shao-Feng, LIN Jian-Gen, LIU Jie, XIE Shi-Bo, LIU Ji-Bo, LI Hao-Hong, CHEN Zhi-Rong. A New Bismuth(Ⅲ) Iodide Inorganic/organic Hybrid Solid Containing Large Heterocyclic Conjugated Organic Ligand: Synthesis, Properties and Calculations[J]. Chinese Journal of Structural Chemistry,
2014, 33(4): 549-556.
A New Bismuth(Ⅲ) Iodide Inorganic/organic Hybrid Solid Containing Large Heterocyclic Conjugated Organic Ligand: Synthesis, Properties and Calculations
摘要:
A new bismuth(Ⅲ) iodide inorganic/organic hybrid containing larger heterocyclic conjugated organic ligand, [(dppz)2Bi2I6]·2DMF (1) (dppz=dipyrido[3,2-a:2',3'-c]phenazine), has been synthesized by solution process and structurally determined by X-ray diffraction method. 1 crystallizes in triclinic, space group P1 with Mr=1844.08, a=9.215(5), b=11.488(6), c=12.424(9) Å, α=106.66(2), β=90.84(2), γ=92.34(2)°, V=1258.5(13) Å3, Z=1, Dc=2.433 g/cm3, F(000)=830, μ(MoKα)=10.702 mm-1, the final R=0.0834 and wR=0.1947 for 2749 observed reflections with I>2σ(I). 1 consists of a dimeric structure [(dppz)2Bi2I6], in which two [(dppz)BiI3] fragments are bridged by a pair of iodine atoms. Hydrogen bonds and π…π stacking interactions contribute to the structural extension and stabilization. Experimental band gap of about 2.13 eV indicates its semiconductor nature. The optical absorption spectrum and electronic structure were also discussed.
English
A New Bismuth(Ⅲ) Iodide Inorganic/organic Hybrid Solid Containing Large Heterocyclic Conjugated Organic Ligand: Synthesis, Properties and Calculations
Abstract:
A new bismuth(Ⅲ) iodide inorganic/organic hybrid containing larger heterocyclic conjugated organic ligand, [(dppz)2Bi2I6]·2DMF (1) (dppz=dipyrido[3,2-a:2',3'-c]phenazine), has been synthesized by solution process and structurally determined by X-ray diffraction method. 1 crystallizes in triclinic, space group P1 with Mr=1844.08, a=9.215(5), b=11.488(6), c=12.424(9) Å, α=106.66(2), β=90.84(2), γ=92.34(2)°, V=1258.5(13) Å3, Z=1, Dc=2.433 g/cm3, F(000)=830, μ(MoKα)=10.702 mm-1, the final R=0.0834 and wR=0.1947 for 2749 observed reflections with I>2σ(I). 1 consists of a dimeric structure [(dppz)2Bi2I6], in which two [(dppz)BiI3] fragments are bridged by a pair of iodine atoms. Hydrogen bonds and π…π stacking interactions contribute to the structural extension and stabilization. Experimental band gap of about 2.13 eV indicates its semiconductor nature. The optical absorption spectrum and electronic structure were also discussed.
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Key words:
- bismuth halide
- / phenanthroline derivative
- / organic-inorganic hybrids
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