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author:

Zhuo, Ji-Bin (Zhuo, Ji-Bin.) [1] | Li, Heng-Dong (Li, Heng-Dong.) [2] | Lin, Cai-Xia (Lin, Cai-Xia.) [3] | Xie, Li-Li (Xie, Li-Li.) [4] | Bai, Sha (Bai, Sha.) [5] | Yuan, Yao-Feng (Yuan, Yao-Feng.) [6]

Indexed by:

EI

Abstract:

Three ferrocene-based sulfonyl-substituted dihydropyrazoles 3a-c have been synthesized, from the corresponding α,β-unsaturated diketones, and fully characterized. The crystal structures of 3a-c have been confirmed by X-ray crystallography, and electrochemistry behaviors of 3a-c have been examined by cyclic voltammetry (CV). Representatively, the mechanism of the electron transfer in redox process of 3a has been verified by density functional theory (DFT) calculation. It has been found that the activity of catalytic decomposition of ammonium perchlorate (AP) is significantly lowered (by 62.9-104.7 °C) with an addition of 3a-c. We expect that the ferrocene-based sulfonyl dihydropyrazole derivatives would have a great value in burning rate catalyst as composite solid propellants. © 2014 Elsevier B.V. All rights reserved.

Keyword:

Catalyst activity Composite propellants Cyclic voltammetry Decomposition Density functional theory Electrochemistry Inorganic compounds Iron compounds Ketones Organometallics Solid propellants Structure (composition) X ray crystallography

Community:

  • [ 1 ] [Zhuo, Ji-Bin]Department of Chemistry, Fuzhou University, Fuzhou 350108, China
  • [ 2 ] [Li, Heng-Dong]Department of Chemistry, Fuzhou University, Fuzhou 350108, China
  • [ 3 ] [Lin, Cai-Xia]Department of Chemistry, Fuzhou University, Fuzhou 350108, China
  • [ 4 ] [Xie, Li-Li]Department of Chemistry, Fuzhou University, Fuzhou 350108, China
  • [ 5 ] [Xie, Li-Li]State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002, China
  • [ 6 ] [Bai, Sha]Beth Israel Deaconess Medical Center (BIDMC), Harvard Medical School, Boston, MA 02215, United States
  • [ 7 ] [Yuan, Yao-Feng]Department of Chemistry, Fuzhou University, Fuzhou 350108, China
  • [ 8 ] [Yuan, Yao-Feng]State Key Laboratory of Photocatalysis on Energy and Environment, Fuzhou University, Fuzhou 350002, China

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Source :

Journal of Molecular Structure

ISSN: 0022-2860

Year: 2014

Issue: 1

Volume: 1067

Page: 112-119

1 . 6 0 2

JCR@2014

4 . 0 0 0

JCR@2023

ESI HC Threshold:268

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count: 39

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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