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author:

Li Jun-Bo (Li Jun-Bo.) [1] | Li Hao-Hong (Li Hao-Hong.) [2] (Scholars:李浩宏) | Chen Zhi-Rong (Chen Zhi-Rong.) [3] (Scholars:陈之荣) | Chen Xiao-Bo (Chen Xiao-Bo.) [4] | Wu Yan-Ling (Wu Yan-Ling.) [5] | Dong Hai-Jun (Dong Hai-Jun.) [6]

Indexed by:

SCIE CSCD

Abstract:

A new 3-D hybrid framework {[(dafone)PbI2](dafbne)2}(n) 1 (dafone = 4,5-diazafluoren-9-one) has been prepared and structurally determined. 1 crystallizes in the monoclinic system, space group C2/c with a = 24.109(8), b = 16.596(8), c = 7.983(3) angstrom, beta = 91.590(15)degrees, V = 3193(2) angstrom(3), Z = 4, C33H18I2N6O3Pb, M-r = 1007.53, D-c = 2.096 g/cm(3), F(000) = 1880, mu(MoK alpha) = 7.262 mm(-1), the final R = 0.0352 and wR = 0.0951 for 3198 observed reflections with I > 2 sigma(I). In the [(dafone)PbI2](n) chain, the Pb center adopts a distorted octahedral coordination geometry and shares an edge to give a one-dimensional polymer. The 3-D arrangement of 1 constructs from H-bonds among dafone molecules and pi-pi stacking interactions among dissociative dafone molecules. These weak interactions contribute to the stability of the title compound. DFT calculation was carried out to reveal its electronic structure.

Keyword:

aromatic hydrogen bond acceptors dafone DFT calculation weak interactions

Community:

  • [ 1 ] [Li Jun-Bo]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China
  • [ 2 ] [Li Hao-Hong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China
  • [ 3 ] [Chen Zhi-Rong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China
  • [ 4 ] [Chen Xiao-Bo]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China
  • [ 5 ] [Wu Yan-Ling]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China
  • [ 6 ] [Dong Hai-Jun]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350002, Fujian, Peoples R China

Reprint 's Address:

  • 陈之荣

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

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Source :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

CN: 35-1112/TQ

Year: 2009

Issue: 11

Volume: 28

Page: 1387-1392

0 . 5 4 4

JCR@2009

5 . 9 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 2

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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