Experimental and Theoretical Identification of the Origin of Magnetic Anisotropy in Intermediate Spin Iron(III) Complexes

被引：12

作者：

Wang, Lianke ^{[1
]}

Zlatar, Matija ^{[2
]}

Vlahovic, Filip ^{[3
]}

Demeshko, Serhiy ^{[4
]}

Philouze, Christian ^{[1
]}

Molton, Florian ^{[1
]}

Gennari, Marcello ^{[1
]}

Meyer, Franc ^{[4
]}

Duboc, Carole ^{[1
]}

Gruden, Maja ^{[3
]}

机构：

[1] Univ Grenoble Alpes, CNRS UMR 5250, DCM, Grenoble, France

[2] Univ Belgrade, Inst Chem Technol & Met, Belgrade, Serbia

[3] Univ Belgrade, Fac Chem, Studentski Trg 12-16, Belgrade 11000, Serbia

[4] Univ Gottingen, Inst Anorgan Chem, Tammannstr 4, D-37077 Gottingen, Germany

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2018年 / 24卷 / 20期

关键词：

density functional calculations; electronic structure; intermediate spin state; iron(III); magnetic properties; ZERO-FIELD SPLITTINGS; ELECTRON-PARAMAGNETIC-RESONANCE; TRANSITION-METAL-COMPLEXES; DENSITY-FUNCTIONAL THEORY; HALIDE LIGANDS AFFECT; HIGH-FREQUENCY; SCORPIONATE COMPLEXES; MONONUCLEAR; COORDINATION; COBALT(II);

D O I：

10.1002/chem.201705989

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The complexes [(FeLX)-X-N2S2] [in which L-N2S2 = 2,2'-(2,2'-bipryridine-6,6'-diyl)bis(1,1'-diphenylethanethiolate) and X = Cl, Br and I], characterized crystallographically earlier and here (Fe(L)Br), reveal a square pyramidal coordinated Fe-III ion. Unusually, all three complexes have intermediate spin ground states. Susceptibility measurements, powder cw X- and Q-band EPR spectra, and zero-field powder Mossbauer spectra show that all complexes display distinct magnetic anisotropy, which has been rationalized by DFT calculations.

引用

页码：5091 / 5094

页数：4

共 50 条

[21] Origin of the Magnetic Anisotropy in Heptacoordinate NiII and CoII Complexes
Ruamps, Renaud
Batchelor, Luke J.
Maurice, Remi
Gogoi, Nayanmoni
Jimenez-Lozano, Pablo
Guihery, Nathalie
de Graaf, Coen
Barra, Anne-Laure
Sutter, Jean-Pascal
Mallah, Talal
CHEMISTRY-A EUROPEAN JOURNAL, 2013, 19 (03) : 950 - 956
[22] Slow Magnetic Relaxation in Intermediate Spin S=3/2 Mononuclear Fe(III) Complexes
Feng, Xiaowen
Hwang, Seung Jun
Liu, Jun-Liang
Chen, Yan-Cong
Tong, Ming-Liang
Nocera, Daniel G.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2017, 139 (46) : 16474 - 16477
[23] Iron 10-Thiacorroles: Bioinspired Iron(III) Complexes with an Intermediate Spin (S=3/2) Ground State
Sakow, Dimitri
Baabe, Dirk
Boeker, Birte
Burghaus, Olaf
Funk, Markus
Kleeberg, Christian
Menzel, Dirk
Pietzonka, Clemens
Broering, Martin
CHEMISTRY-A EUROPEAN JOURNAL, 2014, 20 (10) : 2913 - 2924
[24] Intermediate-Spin Iron(III) Complexes Having a Redox-Noninnocent Macrocyclic Tetraamido Ligand
Kojima, Takahiko
Ogishima, Fumiya
Nishibu, Takahisa
Kotani, Hiroaki
Ishizuka, Tomoya
Okajima, Toshihiro
Nozawa, Shunsuke
Shiota, Yoshihito
Yoshizawa, Kazunari
Ohtsu, Hiroyoshi
Kawano, Masaki
Shiga, Takuya
Oshio, Hiroki
INORGANIC CHEMISTRY, 2018, 57 (16) : 9683 - 9695
[25] What controls the magnetic anisotropy in heptacoordinate high-spin cobalt(ii) complexes? A theoretical perspective
Comba, Peter
Rajaraman, Gopalan
Sarkar, Arup
Velmurugan, Gunasekaran
DALTON TRANSACTIONS, 2022, 51 (13) : 5175 - 5183
[26] Stabilizing intermediate-spin state in iron(III) porphyrins
Sahoo, Dipankar
Roy, Satabdi
Khan, Firoz Shah Tuglak
Singh, Akhil Kumar
Rath, Sankar Prasad
POLYHEDRON, 2019, 172 : 8 - 14
[27] Theoretical Study of Spin Crossover in 30 Iron Complexes
Kepp, Kasper P.
INORGANIC CHEMISTRY, 2016, 55 (06) : 2717 - 2727
[28] Dirhenium(III,III) trithiocarbamato complexes: experimental and theoretical investigation
Mallick, Suman
Garu, Purnananda
Chowdhury, Jagannath
Saha, Rajat
Chattopadhyay, Swarup
TRANSITION METAL CHEMISTRY, 2021, 46 (08) : 583 - 591
[29] Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight
Basak, Tanmoy
Gomez-Garcia, Carlos J.
Gomila, Rosa M.
Frontera, Antonio
Chattopadhyay, Shouvik
RSC ADVANCES, 2021, 11 (06) : 3315 - 3323
[30] Dirhenium(III,III) trithiocarbamato complexes: experimental and theoretical investigation
Suman Mallick
Purnananda Garu
Jagannath Chowdhury
Rajat Saha
Swarup Chattopadhyay
Transition Metal Chemistry, 2021, 46 : 583 - 591

← 1 2 3 4 5 →