A Low-Symmetry Dysprosium Metallocene Single-Molecule Magnet with a High Anisotropy Barrier

被引：152

作者：

Pugh, Thomas ^{[1
]}

Chilton, Nicholas F. ^{[1
]}

Layfield, Richard A. ^{[1
]}

机构：

[1] Univ Manchester, Sch Chem, Oxford Rd, Manchester M13 9PL, Lancs, England

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2016年 / 55卷 / 37期

基金：

欧盟地平线“2020”;

关键词：

cyclopentadienyl ligands; dysprosium; molecular magnetism; organometallics; rare-earth elements; HIGH-ENERGY BARRIER; ION MAGNET; COMPLEXES; RELAXATION; DY; TEMPERATURE; DYNAMICS; BLOCKING; LIGANDS; DESIGN;

D O I：

10.1002/anie.201604346

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The single-molecule magnet (SMM) properties of the isocarbonyl-ligated dysprosium metallocene [Cp*Dy-2{-(OC)(2)FeCp}](2) (1(Dy)), which contains a rhombus-shaped Dy2Fe2 core, are described. Combining a strong axial [Cp*](-) ligand field with a weak equatorial field consisting of the isocarbonyl ligands leads to an anisotropy barrier of 662cm(-1) in zero applied field. The dominant thermal relaxation pathways in 1(Dy) involves at least the fourth-excited Kramers doublet, thus demonstrating that prominent SMM behavior can be observed for dysprosium in low-symmetry environments.

引用

页码：11082 / 11085

页数：4

共 37 条

[1]

[Anonymous], 2015, ANGEW CHEM, V127, P4329

[2]

[Anonymous], 2012, Angew. Chem. Int. Ed.

[3] Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table [J].

Aquilante, Francesco ;

Autschbach, Jochen ;

Carlson, Rebecca K. ;

Chibotaru, Liviu F. ;

Delcey, Mickael G. ;

De Vico, Luca ;

Galvan, Ignacio Fdez ;

Ferre, Nicolas ;

Frutos, Luis Manuel ;

Gagliardi, Laura ;

Garavelli, Marco ;

Giussani, Angelo ;

Hoyer, Chad E. ;

Li Manni, Giovanni ;

Lischka, Hans ;

Ma, Dongxia ;

Malmqvist, Per Ake ;

Mueller, Thomas ;

Nenov, Artur ;

Olivucci, Massimo ;

Pedersen, Thomas Bondo ;

Peng, Daoling ;

Plasser, Felix ;

Pritchard, Ben ;

Reiher, Markus ;

Rivalta, Ivan ;

Schapiro, Igor ;

Segarra-Marti, Javier ;

Stenrup, Michael ;

Truhlar, Donald G. ;

Ungur, Liviu ;

Valentini, Alessio ;

Vancoillie, Steven ;

Veryazov, Valera ;

Vysotskiy, Victor P. ;

Weingart, Oliver ;

Zapata, Felipe ;

Lindh, Roland .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2016, 37 (05) :506-541

[4] Heterobimetallic Complexes Containing Ca-Fe or Yb-Fe Bonds: Synthesis and Molecular and Electronic Structures of [M{CpFe(CO)2}2(THF)3]2 (M = Ca or Yb) [J].

Blake, Matthew P. ;

Kaltsoyannis, Nikolas ;

Mountford, Philip .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (39) :15358-15361

[5]

Cervetti C, 2016, NAT MATER, V15, P164, DOI [10.1038/NMAT4490, 10.1038/nmat4490]

[6] Symmetry-Supported Magnetic Blocking at 20 K in Pentagonal Bipyramidal Dy(III) Single-Ion Magnets [J].

Chen, Yan-Cong ;

Liu, Jun-Liang ;

Ungur, Liviu ;

Liu, Jiang ;

Li, Quan-Wen ;

Wang, Long-Fei ;

Ni, Zhao-Ping ;

Chibotaru, Liviu F. ;

Chen, Xiao-Ming ;

Tong, Ming-Liang .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016, 138 (08) :2829-2837

[7] Design Criteria for High-Temperature Single-Molecule Magnets [J].

Chilton, Nicholas F. .

INORGANIC CHEMISTRY, 2015, 54 (05) :2097-2099

[8] The first near-linear bis(amide) f-block complex: a blueprint for a high temperature single molecule magnet [J].

Chilton, Nicholas F. ;

Goodwin, Conrad A. P. ;

Mills, David P. ;

Winpenny, Richard E. P. .

CHEMICAL COMMUNICATIONS, 2015, 51 (01) :101-103

[9] An electrostatic model for the determination of magnetic anisotropy in dysprosium complexes [J].

Chilton, Nicholas F. ;

Collison, David ;

McInnes, Eric J. L. ;

Winpenny, Richard E. P. ;

Soncini, Alessandro .

NATURE COMMUNICATIONS, 2013, 4

[10]

Colacio E., 2013, Angew. Chem., Int. Ed., V125, P9300

← 1 2 3 4 →