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

Rupak Banik; Subhadip Roy; Ľubor Dlháň; Ján Titiš; Roman Boča; Alexander M Kirillov; Adam D Martin; Antonio Bauza; Antonio Frontera; Antonio Rodríguez-Diéguez; Juan M Salas; Subrata Das

doi:10.1039/c6dt03139k

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

Dalton Trans. 2016 Oct 18;45(41):16166-16172. doi: 10.1039/c6dt03139k.

Authors

Affiliations

¹ Department of Chemistry, National Institute of Technology (NIT) Agartala, Pin 799046, Tripura, India.
² Institute of Inorganic Chemistry, FCHPT, Slovak University of Technology, 81237 Bratislava, Slovakia.
³ Department of Chemistry, FPV, University of SS Cyril and Methodius, 91701 Trnava, Slovakia. jan.titis@ucm.sk roman.boca@stuba.sk.
⁴ Centro de Química Estrutural, Complexo I, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisbon, Portugal. kirillov@tecnico.ulisboa.pt.
⁵ School of Chemistry and the ARC Centre for Convergent Bio-Nano Science and Technology, The University of New South Wales, Sydney, Australia.
⁶ Departament de Quimica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain. toni.frontera@uib.es.
⁷ Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain.
⁸ Department of Chemistry, National Institute of Technology (NIT) Patna, Ashok Rajpath, Patna 800005, Bihar, India. subrataorgchem@gmail.com.

PMID: 27722577
DOI: 10.1039/c6dt03139k

Abstract

A new iron(iii) complex [Fe(H₂Vi)₃]·py·4H₂O (1) {H₃Vi = violuric acid, py = pyridine} was self-assembled and characterized. In the crystal structure, adjacent [Fe(H₂Vi)₃] blocks are H-bonded into a complex 3D network, which was topologically classified as a pcu [alpha-Po primitive cubic] network. Importance of π-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.