Estimation of energy levels of self-assembled ferrocenyls and investigation of charge-driven electro-crystallization of ferricenyl materials

Hakikulla H. Shah, Muhammad Changez, Vandita Singh, Mohammad Luqman, Yahya Ismail, Paul R. Raithby, Frank Marken

Research output: Contribution to journalArticle

Abstract

Three tetra-ferrocenylethynylpyridinyl copper complexes, L4(CuI)4 (1), L4(CuBr)2 (2), L4(CuCl)2 (3) and one ferrocenylethynylpyridinyl Ligand (L) have been investigated for their HOMO and LUMO energy levels. The band gap energy for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. Cyclic voltammetry in dichloroethane showed chemically reversible multiferrocenyl oxidation signals with evidence for product electro-crystallization. We isolated the semi-oxidized products by electrodeposition onto a Pt disc electrode and investigated by scanning electron microscopy (SEM). SEM confirmed the spontaneous formation of crystalline oxidation products with distinctive morphologies for complex 1 & 3. Energy dispersive X-ray elemental analysis shows presence of hexaflurophosphate (counter-ion) with the Fe:P ratio of 2:1, and 2:1 for the electrocrystallized products of 1 and 3, respectively proposing the formulae [1]2+(PF6 -)4 and [3]2+(PF6 -)2 for the electro-crystallized products.

Original languageEnglish
Pages (from-to)149-154
Number of pages6
JournalEnergy Procedia
Volume100
DOIs
Publication statusPublished - 1 Nov 2016

Fingerprint

Electron energy levels
Crystallization
Oxidation
Cyclic voltammetry
Scanning electron microscopy
Radiation counters
Electrodeposition
Band structure
Light absorption
Absorption spectra
Energy gap
Ligands
Crystalline materials
Copper
X rays
Electrodes
Chemical analysis

Keywords

  • alkynyls
  • electro-deposition
  • electrochemistry
  • electronic material
  • ferrocene

Cite this

Estimation of energy levels of self-assembled ferrocenyls and investigation of charge-driven electro-crystallization of ferricenyl materials. / Shah, Hakikulla H.; Changez, Muhammad; Singh, Vandita; Luqman, Mohammad; Ismail, Yahya; Raithby, Paul R.; Marken, Frank.

In: Energy Procedia, Vol. 100, 01.11.2016, p. 149-154.

Research output: Contribution to journalArticle

Shah, Hakikulla H. ; Changez, Muhammad ; Singh, Vandita ; Luqman, Mohammad ; Ismail, Yahya ; Raithby, Paul R. ; Marken, Frank. / Estimation of energy levels of self-assembled ferrocenyls and investigation of charge-driven electro-crystallization of ferricenyl materials. In: Energy Procedia. 2016 ; Vol. 100. pp. 149-154.
@article{2e80e3e953bc4faeb336ea2e661f7072,
title = "Estimation of energy levels of self-assembled ferrocenyls and investigation of charge-driven electro-crystallization of ferricenyl materials",
abstract = "Three tetra-ferrocenylethynylpyridinyl copper complexes, L4(CuI)4 (1), L4(CuBr)2 (2), L4(CuCl)2 (3) and one ferrocenylethynylpyridinyl Ligand (L) have been investigated for their HOMO and LUMO energy levels. The band gap energy for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. Cyclic voltammetry in dichloroethane showed chemically reversible multiferrocenyl oxidation signals with evidence for product electro-crystallization. We isolated the semi-oxidized products by electrodeposition onto a Pt disc electrode and investigated by scanning electron microscopy (SEM). SEM confirmed the spontaneous formation of crystalline oxidation products with distinctive morphologies for complex 1 & 3. Energy dispersive X-ray elemental analysis shows presence of hexaflurophosphate (counter-ion) with the Fe:P ratio of 2:1, and 2:1 for the electrocrystallized products of 1 and 3, respectively proposing the formulae [1]2+(PF6 -)4 and [3]2+(PF6 -)2 for the electro-crystallized products.",
keywords = "alkynyls, electro-deposition, electrochemistry, electronic material, ferrocene",
author = "Shah, {Hakikulla H.} and Muhammad Changez and Vandita Singh and Mohammad Luqman and Yahya Ismail and Raithby, {Paul R.} and Frank Marken",
year = "2016",
month = "11",
day = "1",
doi = "10.1016/j.egypro.2016.10.157",
language = "English",
volume = "100",
pages = "149--154",
journal = "Energy Procedia",
issn = "1876-6102",
publisher = "Elsevier",

}

TY - JOUR

T1 - Estimation of energy levels of self-assembled ferrocenyls and investigation of charge-driven electro-crystallization of ferricenyl materials

AU - Shah, Hakikulla H.

AU - Changez, Muhammad

AU - Singh, Vandita

AU - Luqman, Mohammad

AU - Ismail, Yahya

AU - Raithby, Paul R.

AU - Marken, Frank

PY - 2016/11/1

Y1 - 2016/11/1

N2 - Three tetra-ferrocenylethynylpyridinyl copper complexes, L4(CuI)4 (1), L4(CuBr)2 (2), L4(CuCl)2 (3) and one ferrocenylethynylpyridinyl Ligand (L) have been investigated for their HOMO and LUMO energy levels. The band gap energy for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. Cyclic voltammetry in dichloroethane showed chemically reversible multiferrocenyl oxidation signals with evidence for product electro-crystallization. We isolated the semi-oxidized products by electrodeposition onto a Pt disc electrode and investigated by scanning electron microscopy (SEM). SEM confirmed the spontaneous formation of crystalline oxidation products with distinctive morphologies for complex 1 & 3. Energy dispersive X-ray elemental analysis shows presence of hexaflurophosphate (counter-ion) with the Fe:P ratio of 2:1, and 2:1 for the electrocrystallized products of 1 and 3, respectively proposing the formulae [1]2+(PF6 -)4 and [3]2+(PF6 -)2 for the electro-crystallized products.

AB - Three tetra-ferrocenylethynylpyridinyl copper complexes, L4(CuI)4 (1), L4(CuBr)2 (2), L4(CuCl)2 (3) and one ferrocenylethynylpyridinyl Ligand (L) have been investigated for their HOMO and LUMO energy levels. The band gap energy for each material has been calculated using optical absorption spectrum. Cyclic Voltammetry was used to estimate the oxidation potential and energy band diagram consequently. Cyclic voltammetry in dichloroethane showed chemically reversible multiferrocenyl oxidation signals with evidence for product electro-crystallization. We isolated the semi-oxidized products by electrodeposition onto a Pt disc electrode and investigated by scanning electron microscopy (SEM). SEM confirmed the spontaneous formation of crystalline oxidation products with distinctive morphologies for complex 1 & 3. Energy dispersive X-ray elemental analysis shows presence of hexaflurophosphate (counter-ion) with the Fe:P ratio of 2:1, and 2:1 for the electrocrystallized products of 1 and 3, respectively proposing the formulae [1]2+(PF6 -)4 and [3]2+(PF6 -)2 for the electro-crystallized products.

KW - alkynyls

KW - electro-deposition

KW - electrochemistry

KW - electronic material

KW - ferrocene

UR - http://www.scopus.com/inward/record.url?scp=85014435324&partnerID=8YFLogxK

UR - http://dx.doi.org10.1016/j.egypro.2016.10.157

UR - http://dx.doi.org10.1016/j.egypro.2016.10.157

U2 - 10.1016/j.egypro.2016.10.157

DO - 10.1016/j.egypro.2016.10.157

M3 - Article

VL - 100

SP - 149

EP - 154

JO - Energy Procedia

JF - Energy Procedia

SN - 1876-6102

ER -