Ligand design for long-range magnetic order in metal-organic frameworks

Davide Tiana; Christopher H. Hendon; Aron Walsh

doi:10.1039/c4cc06433j

Ligand design for long-range magnetic order in metal-organic frameworks

Davide Tiana, Christopher H. Hendon, Aron Walsh

Research output: Contribution to journal › Article › peer-review

52 Citations (SciVal)

161 Downloads (Pure)

Abstract

We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict Néel temperatures exceeding 100 K for the case of Mn.

Original language	English
Pages (from-to)	13990-13993
Number of pages	4
Journal	Chemical Communications
Volume	50
Issue number	90
DOIs	https://doi.org/10.1039/c4cc06433j
Publication status	Published - 21 Nov 2014

Access to Document

10.1039/c4cc06433j

Published VersionFinal published version, 1.7 MBLicence: CC BY

Cite this

@article{5d81904eaa2b49d29d392b872b3f7242,

title = "Ligand design for long-range magnetic order in metal-organic frameworks",

abstract = "We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict N{\'e}el temperatures exceeding 100 K for the case of Mn.",

author = "Davide Tiana and Hendon, {Christopher H.} and Aron Walsh",

year = "2014",

month = nov,

day = "21",

doi = "10.1039/c4cc06433j",

language = "English",

volume = "50",

pages = "13990--13993",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "90",

}

TY - JOUR

T1 - Ligand design for long-range magnetic order in metal-organic frameworks

AU - Tiana, Davide

AU - Hendon, Christopher H.

AU - Walsh, Aron

PY - 2014/11/21

Y1 - 2014/11/21

N2 - We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict Néel temperatures exceeding 100 K for the case of Mn.

AB - We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict Néel temperatures exceeding 100 K for the case of Mn.

UR - http://www.scopus.com/inward/record.url?scp=84907977131&partnerID=8YFLogxK

UR - http://dx.doi.org/10.1039/c4cc06433j

U2 - 10.1039/c4cc06433j

DO - 10.1039/c4cc06433j

M3 - Article

AN - SCOPUS:84907977131

SN - 1359-7345

VL - 50

SP - 13990

EP - 13993

JO - Chemical Communications

JF - Chemical Communications

IS - 90

ER -

Ligand design for long-range magnetic order in metal-organic frameworks

Abstract

Access to Document

Other files and links

Fingerprint

High Performance Computing (HPC) Facility

Cite this

Ligand design for long-range magnetic order in metal-organic frameworks

Abstract

Access to Document

Other files and links

Fingerprint

Equipment

High Performance Computing (HPC) Facility

Cite this