Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(III)-violurate derivative: a combined experimental and theoretical study

被引：19

作者：

Banik, Rupak ^{[1
]}

Roy, Subhadip ^{[1
]}

Dlhan, Lubor ^{[2
]}

Titis, Jan ^{[3
]}

Boca, Roman ^{[3
]}

Kirillov, Alexander M. ^{[4
]}

Martin, Adam D. ^{[5
,6
]}

Bauza, Antonio ^{[7
]}

Frontera, Antonio ^{[7
]}

Rodriguez-Dieguez, Antonio ^{[8
]}

Salas, Juan M. ^{[8
]}

Das, Subrata ^{[9
]}

机构：

[1] NIT Agartala, Dept Chem, Agartala 799046, India

[2] Slovak Univ Technol Bratislava, FCHPT, Inst Inorgan Chem, Bratislava 81237, Slovakia

[3] Univ SS Cyril & Methodius, FPV, Dept Chem, Trnava 91701, Slovakia

[4] Univ Lisbon, Inst Super Tecn, Ctr Quim Estrutural, Complexo 1,Av Rovisco Pais, P-1049001 Lisbon, Portugal

[5] Univ New South Wales, Sch Chem, Sydney, NSW, Australia

[6] Univ New South Wales, ARC Ctr Convergent Bionano Sci & Technol, Sydney, NSW, Australia

[7] Univ Illes Balears, Dept Quim, Crta Valldemossa Km 7-5, Palma de Mallorca 07122, Baleares, Spain

[8] Univ Granada, Fac Ciencias, Dept Quim Inorgan, E-18071 Granada, Spain

[9] NIT Patna, Dept Chem, Patna 800005, Bihar, India

来源：

DALTON TRANSACTIONS | 2016年 / 45卷 / 41期

基金：

澳大利亚国家健康与医学研究理事会;

关键词：

PROTEOLYTIC REGULATORY ENZYMES; METAL-ORGANIC FRAMEWORKS; RENIN-ANGIOTENSIN SYSTEM; CRYSTAL-STRUCTURE; VIOLURIC ACID; COPPER(II) COMPLEX; PI INTERACTIONS; HYDROGEN-BOND; HARTREE-FOCK; PROGRAM;

D O I：

10.1039/c6dt03139k

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

A new iron(III) complex [Fe(H(2)Vi)(3)]center dot py center dot 4H(2)O (1) {H(3)Vi = violuric acid, py = pyridine} was self-assembled and characterized. In the crystal structure, adjacent [Fe(H(2)Vi)(3)] blocks are H-bonded into a complex 3D network, which was topologically classified as a pcu [alpha-Po primitive cubic] network. Importance of pi-stacking interactions was also highlighted and analyzed computationally. Magnetic studies confirmed antiferromagnetic exchange coupling, while ZFCM/FCM experiments indicated an ordering temperature T-c = 50 K. Finally, magnetic hysteresis at 5 K possesses the coercive field of B-c = 69 mT.

引用

页码：16166 / 16172

页数：7

共 79 条

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