Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors

Partially-oxidized Iron(III) phthalocyanine (FeIIIPc) with axial CN or Br ligands are molecular conductors with giant negative magnetoresistance. Electron conduction occurs via intermolecular overlapping of Pc π-orbitals, while negative magnetoresistance is brought about by intramolecular interactio...

Full description

Saved in:
Bibliographic Details
Main Authors: Shimizu, Eiza, Yu, Derrick Ethelbhert
Format: text
Published: Animo Repository 2018
Subjects:
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/2087
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3086/type/native/viewcontent
Tags: Add Tag
No Tags, Be the first to tag this record!
Institution: De La Salle University
id oai:animorepository.dlsu.edu.ph:faculty_research-3086
record_format eprints
spelling oai:animorepository.dlsu.edu.ph:faculty_research-30862021-08-16T01:19:58Z Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors Shimizu, Eiza Yu, Derrick Ethelbhert Partially-oxidized Iron(III) phthalocyanine (FeIIIPc) with axial CN or Br ligands are molecular conductors with giant negative magnetoresistance. Electron conduction occurs via intermolecular overlapping of Pc π-orbitals, while negative magnetoresistance is brought about by intramolecular interaction between Fe-d and Pc-π orbitals. Aside from permitting sliπ-stacked solid-state arrangement, axial ligands can further enhance the π-d interaction of FeIII(Pc) depending on the strength of ligand field energies that proportionally leads to larger negative magnetoresistance. However, the strong ligand field of CN results in conductivity reduction due to the π-accepting nature of the ligand which enhances electron gradient in the oxidized Fe3+, thereby localizing itinerant electrons in Pc, as evidenced by charge transfers between Fe-d and CN-π orbitals. In contrast, the π-donating nature of Br ligands complements the electron deficiency of Fe3+, resulting in the delocalization of itinerant electrons in the Pc system, thus creating a highly conducting molecular system with giant negative magnetoresistance. © 2018 Oriental Scientific Publishing Company. All rights reserved. 2018-01-01T08:00:00Z text text/html https://animorepository.dlsu.edu.ph/faculty_research/2087 https://animorepository.dlsu.edu.ph/context/faculty_research/article/3086/type/native/viewcontent Faculty Research Work Animo Repository Ligands (Biochemistry) Electronic structure Electrons Magnetoresistance
institution De La Salle University
building De La Salle University Library
continent Asia
country Philippines
Philippines
content_provider De La Salle University Library
collection DLSU Institutional Repository
topic Ligands (Biochemistry)
Electronic structure
Electrons
Magnetoresistance
spellingShingle Ligands (Biochemistry)
Electronic structure
Electrons
Magnetoresistance
Shimizu, Eiza
Yu, Derrick Ethelbhert
Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
description Partially-oxidized Iron(III) phthalocyanine (FeIIIPc) with axial CN or Br ligands are molecular conductors with giant negative magnetoresistance. Electron conduction occurs via intermolecular overlapping of Pc π-orbitals, while negative magnetoresistance is brought about by intramolecular interaction between Fe-d and Pc-π orbitals. Aside from permitting sliπ-stacked solid-state arrangement, axial ligands can further enhance the π-d interaction of FeIII(Pc) depending on the strength of ligand field energies that proportionally leads to larger negative magnetoresistance. However, the strong ligand field of CN results in conductivity reduction due to the π-accepting nature of the ligand which enhances electron gradient in the oxidized Fe3+, thereby localizing itinerant electrons in Pc, as evidenced by charge transfers between Fe-d and CN-π orbitals. In contrast, the π-donating nature of Br ligands complements the electron deficiency of Fe3+, resulting in the delocalization of itinerant electrons in the Pc system, thus creating a highly conducting molecular system with giant negative magnetoresistance. © 2018 Oriental Scientific Publishing Company. All rights reserved.
format text
author Shimizu, Eiza
Yu, Derrick Ethelbhert
author_facet Shimizu, Eiza
Yu, Derrick Ethelbhert
author_sort Shimizu, Eiza
title Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
title_short Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
title_full Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
title_fullStr Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
title_full_unstemmed Electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(III) phthalocyanine molecular conductors
title_sort electronic structure mechanism of axial ligands on itinerant electrons and negative magnetoresistance in axially-ligated iron(iii) phthalocyanine molecular conductors
publisher Animo Repository
publishDate 2018
url https://animorepository.dlsu.edu.ph/faculty_research/2087
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3086/type/native/viewcontent
_version_ 1709757382010077184