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author:

Li, Hao-Hong (Li, Hao-Hong.) [1] (Scholars:李浩宏) | Zheng, Qi-Shan (Zheng, Qi-Shan.) [2] | Chen, Zhi-Rong (Chen, Zhi-Rong.) [3] (Scholars:陈之荣) | Dong, Hai-Jun (Dong, Hai-Jun.) [4] | Wu, Yan-Ling (Wu, Yan-Ling.) [5] | Wang, Min (Wang, Min.) [6]

Indexed by:

EI Scopus SCIE

Abstract:

Phenanthroline derivative, 4,5-diazafluoren-9-one(dafone), was introduced into lead iodine hybrid to synthesize a new hybrid [Pb-2[(4)(dafone)(2)]n (1), in which each lead atom adopts a distorted octahedral coordination and presents a one-dimensional polymer by edge-sharing mode. Due to the presence of O acceptor in dafone, C-H center dot center dot center dot O hydrogen bonds can be observed and contribute to the formation of 2-D layer. Experimental and theoretical optical property investigation indicate that 1 possesses semiconductor property. Specially, DFT calculation suggests that 1 displays a reduced band gap (1.36 eV), which is assigned to a more dispersed LUMO band compared with [Pb2I4(phen)(2)](n). and [Pb2I4(bipy)(2)](n) (C) 2010 Elsevier B.V. All rights reserved.

Keyword:

Band gap DFT calculation Lead halides Organic-inorganic hybrids

Community:

  • [ 1 ] [Li, Hao-Hong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 2 ] [Zheng, Qi-Shan]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 3 ] [Chen, Zhi-Rong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 4 ] [Dong, Hai-Jun]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 5 ] [Wu, Yan-Ling]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China
  • [ 6 ] [Wang, Min]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China

Reprint 's Address:

  • 陈之荣

    [Chen, Zhi-Rong]Fuzhou Univ, Coll Chem & Chem Engn, Fuzhou 350108, Fujian, Peoples R China

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Source :

JOURNAL OF MOLECULAR STRUCTURE

ISSN: 0022-2860

Year: 2010

Issue: 1-3

Volume: 982

Page: 28-32

1 . 5 9 9

JCR@2010

4 . 0 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 3

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 2

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