科研之友
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摘要
A 1-D hybrid copper(I) halides, [(phen)Cu(3)I(3)](n)(phen = 1,10- phenanthroline)(1) with novel D6R (double six-membered rings) Cu(6)I(6) cores, was synthesized by solvothermal reaction and characterized by single-crystal X-ray diffraction. In 1, nitrogen atoms from phen replace two I of CuI(4) tetrahedron to give distorted tetrahedral geometries (CuI(2)N(2)), then CuI(2)N(2) tetrahedron shares corners via mu(3)-I to generate an extended 1-D zigzag chain. Two zigzag chains combines with one 1-D (Cu(4)I(4))(n) chain containing D6R cores via mu(3)-I-Cu (from cores) bonds to form the infinite 1-D ribbonlike polymer along the a-axis. Furthermore, the title compound is stabilized by conspicuous C-H center dot center dot center dot I hydrogen bonds, pi-pi and d(10)-d(10) metallic interactions. Experimental and theoretical optical property investigation indicates that 1 possesses semiconductor property. DFT calculation was executed to probe the electronic structure of 1. To our interest, phen act as a property control species with its pi* electrons appear in the forbidden band.
- 出版日期2009-9
- 单位福州大学
