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author:

Cheng Li-Chuan (Cheng Li-Chuan.) [1] | Li Hao-Hong (Li Hao-Hong.) [2] (Scholars:李浩宏) | Chen Zhi-Rong (Chen Zhi-Rong.) [3] (Scholars:陈之荣) | Li Jun-Qian (Li Jun-Qian.) [4] | Huang Chang-Cang (Huang Chang-Cang.) [5] (Scholars:黄长沧) | Cai Zeng-Liang (Cai Zeng-Liang.) [6] (Scholars:蔡增良)

Indexed by:

SCIE PKU CSCD

Abstract:

A new lead(II) iodide coordination polymer [(npq)(PbI3)](n) 1 (npq = N-propylquinolinium) has been synthesized in the presence of npq as structure-directing reagent (SDA). Compound I crystallizes in the orthorhombic system, space group Pbca, with a = 19.158(4), b = 7.9909(16), c = 22.929(5) angstrom, V = 3510.2(12) angstrom(3), Z = 8, D-c = 2.877 g/cm(3), F(000) = 2672, C12H14I3NPb, M-r= 760.14, mu(MoK alpha) = 14.872 mm(-1), the final R = 0.0431 and wR = 0.1021 for 3678 observed reflections with I > 2 sigma(I). Structure determination indicates that the [PbI3](n)(-) infinite chains in each unit cell shape the sketch of 1, which could be described as the result of face-sharing distorted PbI6 octahedra running along the b axis. Electrostatic interaction between conjugated organic counter-cations and inorganic moieties presents and contributes to the crystal packing. 1 was further characterized with IR and elemental analysis. Based on the crystal structure data, quantum chemical calculation with DFT method was used to reveal the electronic structure and optical property of 1.

Keyword:

coordination polymers density of state lead iodide optical property

Community:

  • [ 1 ] Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Peoples R China

Reprint 's Address:

  • 陈之荣

    [Chen Zhi-Rong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Peoples R China

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2007

Issue: 11

Volume: 26

Page: 1315-1321

0 . 6 9 6

JCR@2007

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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