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author:

Li, HH (Li, HH.) [1] (Scholars:李浩宏) | Chen, ZR (Chen, ZR.) [2] (Scholars:陈之荣) | Li, JQ (Li, JQ.) [3] | Huang, CC (Huang, CC.) [4] (Scholars:黄长沧) | Xiao, GC (Xiao, GC.) [5] (Scholars:肖光参) | Hu, XL (Hu, XL.) [6] (Scholars:胡晓琳) | Zhao, B (Zhao, B.) [7] (Scholars:赵斌) | Xiao, FX (Xiao, FX.) [8]

Indexed by:

Scopus SCIE

Abstract:

The coordination polymer [(DBU-H)(PbI3)](n) (DBU=catena-(1,8-diazabicyclo[5,4,0]-undec-7-ene) was synthesized by self-assembly reaction of DBU and PbI2 at room temperature with pH=6.0 and structurally characterized by means of X-ray single crystal diffraction. It crystallizes in monoclinic system with space group P-2/c and crystal parameters a = 1.1940(2) nm, b = 1.7409(4) mn, c = 0.81347(16) nm, beta = 100.32(3)degrees, chemical formula C9H17N2I3Pb and M-r=741.15, V=1.6635(6) nm(3), Z=4, D-c=2.959 g/cm(3), F(000)=1304, mu(Mo K alpha)=15.687 mm(-1), the final R=0.0389 and wR=0.0635 for 2279 observed reflections with I > 2 sigma(I). Structure analysis shows that the inorgamc anion chain consists of distorted PbI6 octahedra, which shares the same faces with adjacent PbI6 units to form one-dimensional infinite chains along the c-axis. Anion chains are surrounded by protonated (DBU-H)+ cations. Anion chains and cations are in combination with each other by static attracting forces in the crystal to form so-called organic-inorganic hybrid structure. According to the crystal structure data, quantum chemical calculation with DFT at B3LYP level was used to reveal the electronic structure of title compound.

Keyword:

lead(II) iodide organic-inorganic hybrid quantum chemical calculation template synthesis

Community:

  • [ 1 ] Fuzhou Univ, Coll Chem & Chem Engn, Fujian 350002, Peoples R China
  • [ 2 ] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fujian 350002, Peoples R China
  • [ 3 ] Fuzhou Univ, Ctr Analysis & Measurement, Fujian 350002, Peoples R China

Reprint 's Address:

  • 李浩宏

    [Li, HH]Fuzhou Univ, Coll Chem & Chem Engn, Fujian 350002, Peoples R China

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Source :

CHINESE JOURNAL OF CHEMISTRY

ISSN: 1001-604X

CN: 31-1547/O6

Year: 2005

Issue: 10

Volume: 23

Page: 1391-1396

0 . 8 1 9

JCR@2005

5 . 5 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:3

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 8

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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