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author:

Li, H.-H. (Li, H.-H..) [1] | Zheng, Q.-S. (Zheng, Q.-S..) [2] | Chen, Z.-R. (Chen, Z.-R..) [3] | Dong, H.-J. (Dong, H.-J..) [4] | Wu, Y.-L. (Wu, Y.-L..) [5] | Wang, M. (Wang, M..) [6]

Indexed by:

Scopus

Abstract:

Phenanthroline derivative, 4,5-diazafluoren-9-one(dafone), was introduced into lead iodine hybrid to synthesize a new hybrid [Pb2I 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⋯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. © 2010 Elsevier B.V. All rights reserved.

Keyword:

Band gap; DFT calculation; Lead halides; Organic-inorganic hybrids

Community:

  • [ 1 ] [Li, H.-H.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China
  • [ 2 ] [Zheng, Q.-S.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China
  • [ 3 ] [Chen, Z.-R.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China
  • [ 4 ] [Dong, H.-J.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China
  • [ 5 ] [Wu, Y.-L.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China
  • [ 6 ] [Wang, M.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, China

Reprint 's Address:

  • [Chen, Z.-R.]College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, Fujian 350108, 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

JCR Journal Grade:3

CAS 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: 2

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