Next Article in Journal
2-Azidoimidazolium Ions Captured by N-Heterocyclic Carbenes: Azole-Substituted Triazatrimethine Cyanines
Next Article in Special Issue
The Role of Coulomb Interactions for Spin Crossover Behaviors and Crystal Structural Transformation in Novel Anionic Fe(III) Complexes from a π-Extended ONO Ligand
Previous Article in Journal
Synthesis, Structures and Properties of Cobalt Thiocyanate Coordination Compounds with 4-(hydroxymethyl)pyridine as Co-ligand
Previous Article in Special Issue
Thermally Activated Paramagnets from Diamagnetic Polymers of Biphenyl-3,5-diyl Bis(tert-butyl Nitroxides) Carrying Methyl and Fluoro Groups at the 2’- and 5’-Positions
Article Menu

Export Article

Open AccessArticle
Crystals 2016, 6(4), 39; doi:10.3390/cryst6040039

High-Spin Chains and Crowns from Double-Exchange Mechanism

Laboratoire de Chimie et Physique Quantiques, UMR5626, IRSAMC, Université de Toulouse 3, Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex, France
*
Author to whom correspondence should be addressed.
Academic Editors: Martin T. Lemaire and Helmut Cölfen
Received: 5 December 2015 / Revised: 23 March 2016 / Accepted: 28 March 2016 / Published: 6 April 2016
(This article belongs to the Special Issue High Spin Molecules)
View Full-Text   |   Download PDF [1845 KB, uploaded 6 April 2016]   |  

Abstract

This article addresses the question of the possibility of obtaining high-spin chains and crowns of magnetic units s = 1 from doped (by a hole) antiferromagnetic architectures. It aims at determining the range of values of the double-exchange model interactions for which these molecules exhibit a high-spin ground state. Several chains and crowns of sizes varying between three to seven magnetic sites have been studied using a refined double-exchange model. It is shown that, for physical values of the parameters, linear chains of three, four and five sites are likely to adopt the highest spin state. For chains of six sites, small values of magnetic couplings are needed to get the highest spin, but it would be easy to get an S = 3/2 ground state. For systems of seven (or slightly more) sites, the highest spin state becomes non accessible but S = 5/2 states are likely to be obtained. Surprisingly, the physics of crowns is substantially different. The same trends are observed for even-number systems but with a larger double-exchange regime. At variance, odd-number systems do not exhibit a double-exchange mechanism for low values of the magnetic couplings. These observations are rationalized from an analysis of the computed spectra and wave functions. View Full-Text
Keywords: high-spin molecule; double-exchange phenomenon; model Hamiltonian; theoretical chemistry high-spin molecule; double-exchange phenomenon; model Hamiltonian; theoretical chemistry
Figures

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Chilkuri, V.G.; Suaud, N.; Guihéry, N. High-Spin Chains and Crowns from Double-Exchange Mechanism. Crystals 2016, 6, 39.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Crystals EISSN 2073-4352 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top