A Mn(III) single ion magnet with tridentate Schiff-base ligands

被引：25

作者：

Realista, S. ^{[1
]}

Fitzpatrick, A. J. ^{[2
]}

Santos, G. ^{[1
]}

Ferreira, L. P. ^{[3
,4
,6
]}

Barroso, S. ^{[5
]}

Pereira, L. C. J.

Bandeira, N. A. G. ^{[1
,5
,7
]}

Neugebauer, P. ^{[8
]}

Hruby, J. ^{[8
]}

Morgan, G. G. ^{[2
]}

van Slageren, J. ^{[8
]}

Calhorda, M. J. ^{[1
]}

Martinho, P. N. ^{[1
]}

机构：

[1] Univ Lisbon, Fac Ciencias, Ctr Quim & Bioquim, P-1749016 Lisbon, Portugal

[2] Univ Coll Dublin, Sch Chem, Dublin 4, Ireland

[3] Univ Lisbon, Fac Ciencias, BioISI, P-1749016 Lisbon, Portugal

[4] Univ Coimbra, Dept Phys, P-3004516 Coimbra, Portugal

[5] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, Ave Rovisco Pais, P-1049001 Lisbon, Portugal

[6] Univ Lisbon, Inst Super Tecn, C2TN, Estr Nacl 10,Ao Km 139,7, P-2695066 Bobadela Lrs, Portugal

[7] Inst Chem Res Catalonia ICIQ, Avda Paisos Catalans 16, Tarragona 43007, Spain

[8] Univ Stuttgart, Inst Phys Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

来源：

DALTON TRANSACTIONS | 2016年 / 45卷 / 31期

基金：

爱尔兰科学基金会;

关键词：

MONONUCLEAR MANGANESE(III) COMPLEX; ELECTRONIC-STRUCTURE; MOLECULE MAGNET; PERTURBATION-THEORY; SLOW RELAXATION; HIGH-FREQUENCY; BASIS-SETS; STATE; MAGNETIZATION; EPR;

D O I：

10.1039/c6dt02538b

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Single ion magnet behaviour is reported for a mononuclear Mn(III) ion with tridentate Schiff-base ligands which exhibits a tetragonal Jahn-Teller elongation along the N-amine-Mn-N-amine axis and crystallises with two crystallographically distinct Mn(III) cations (unit A and unit B). While magnetic measurements show a large and negative axial zero-field splitting (D = -4.73 cm(-1)), HF-EPR reveal two distinct large axial Ds (D = -4.60 cm(-1) for unit A and D = -4.18 cm(-1) for unit B), thus resulting in the largest D known to date for a Mn(III) single ion magnet. AC magnetic measurements at 2000 Oe allowed determination of the energy barrier for spin reversal (10.19 K) and spin reversal relaxation time (1.476 x 10(-6) s) for the Mn(III) ion. Computational studies were used to characterise the electronic structure and substantiate the zero field splitting in the Mn(III) complex.

引用

页码：12301 / 12307

页数：7

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