Slow magnetic relaxation in a homo dinuclear Dy(III) complex in a pentagonal bipyramidal geometry

被引：19

作者：

Acharya, Joydev ^{[1
]}

Ahmed, Naushad ^{[2
]}

Gonzalez, Jessica Flores ^{[3
]}

Kumar, Pawan ^{[1
]}

Cador, Olivier ^{[3
]}

Singh, Saurabh Kumar ^{[4
]}

Pointillart, Fabrice ^{[3
]}

Chandrasekhar, Vadapalli ^{[1
,2
]}

机构：

[1] Indian Inst Technol Kanpur, Dept Chem, Kanpur 208016, Uttar Pradesh, India

[2] Tata Inst Fundamental Res, 36-P, Hyderabad 500107, India

[3] Univ Rennes, CNRS, ISCR Inst Sci Chim Rennes, UMR 6226, F-35000 Rennes, France

[4] Indian Inst Technol Hyderabad, Dept Chem, Sangareddy 502285, Telangana, India

来源：

DALTON TRANSACTIONS | 2020年 / 49卷 / 37期

关键词：

SINGLE-MOLECULE-MAGNET; LIGAND REPLACEMENT; GROUND-STATE; ION MAGNETS; BASIS-SETS; ANISOTROPY; DYNAMICS; TEMPERATURE; EXCHANGE; DESIGN;

D O I：

10.1039/d0dt02881a

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

We hereby report a dinuclear Dy(III) complex, [Dy(LH3)Cl-2](2)center dot 2Et(2)O (1) (LH4 = 2,3-dihydroxybenzylidene)-2-(hydroxyimino)propanehydrazide where both the metal centres are in a pentagonal bipyramidal (PBP) geometry with the axial positions being occupied by negatively charged Cl- ions. The complex as well as it's 10% diluted analogue (1(10)) do not show zero-field SMM behaviour. However, in the presence of small optimum dc fields the slow relaxation of magnetization was displayed. The effective energy barrier for 1(10) at 800 Oe of applied field was extracted as 83(17) K with tau(0) = 2(4) x 10(-12) s. Through a combined experimental and ab initio electronic structure calculations studies we have thoroughly analysed the role of the ligand field around the Dy(III), present in pentagonal bipyramidal geometry, in contributing to the slow relaxation of magnetization.

引用

页码：13110 / 13122

页数：13

共 114 条

[1]

Abragam A., 1970, ELECT PARAMAGNETIC R

[2] Slow Magnetic Relaxation in Dinuclear CoIIYIII Complexes [J].

Acharya, Joydev ;

Swain, Abinash ;

Chakraborty, Amit ;

Kumar, Vierandra ;

Kumar, Pawan ;

Gonzalez, Jessica Flores ;

Cador, Olivier ;

Pointillart, Fabrice ;

Rajaraman, Gopalan ;

Chandrasekhar, Vadapalli .

INORGANIC CHEMISTRY, 2019, 58 (16) :10725-10735

[3] Exploring Tuning of Structural and Magnetic Properties by Modification of Ancillary β-Diketonate Co-ligands in a Family of Near-Linear Tetranuclear DyIII Complexes [J].

Acharya, Joydev ;

Biswas, Sourav ;

van Leusen, Jan ;

Kumar, Pawan ;

Kumar, Vierandra ;

Narayanan, Ramakirushnan Suriya ;

Koegerler, Paul ;

Chandrasekhar, Vadapalli .

CRYSTAL GROWTH & DESIGN, 2018, 18 (07) :4004-4016

[4]

[Anonymous], 2000, SHELXTL REFERENCE MA

[5] [U(TpMe2)2(bipy)]+: A Cationic Uranium(III) Complex with Single-Molecule-Magnet Behavior [J].

Antunes, Maria A. ;

Pereira, Laura C. J. ;

Santos, Isabel C. ;

Mazzanti, Marinella ;

Marcalo, Joaquim ;

Almeida, Manuel .

INORGANIC CHEMISTRY, 2011, 50 (20) :9915-9917

[6] 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

[7] Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory [J].

Aravena, Daniel ;

Atanasov, Mihail ;

Neese, Frank .

INORGANIC CHEMISTRY, 2016, 55 (09) :4457-4469

[8] Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear DyIII Complexes [J].

Aravena, Daniel ;

Ruiz, Eliseo .

INORGANIC CHEMISTRY, 2013, 52 (23) :13770-13778

[9] Modeling the properties of uranium-based single ion magnets [J].

Baldovi, Jose J. ;

Cardona-Serra, Salvador ;

Clemente-Juan, Juan M. ;

Coronado, Eugenio ;

Gaita-Arino, Alejandro .

CHEMICAL SCIENCE, 2013, 4 (03) :938-946

[10] Homometallic DyIII Complexes of Varying Nuclearity from 2 to 21: Synthesis, Structure, and Magnetism [J].

Biswas, Sourav ;

Das, Sourav ;

Acharya, Joydev ;

Kumar, Vierandra ;

van Leusen, Jan ;

Koegerler, Paul ;

Manuel Herrera, Juan ;

Colacio, Enrique ;

Chandrasekhar, Vadapalli .

CHEMISTRY-A EUROPEAN JOURNAL, 2017, 23 (21) :5154-5170

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