A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication

Das, K.S. and Saha, S. and Pal, B. and Adhikary, A. and Moorthy, S. and Singh, Saurabh Kumar and et al, . (2022) A Nd6 molecular butterfly: a unique all-in-one material for SMM, MCE and maiden photosensitized opto-electronic device fabrication. Dalton Transactions, 51 (4). pp. 1617-1633. ISSN 1477-9226

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Besides iron, ironically neodymium (Nd) is the most ubiquitously used metal for magnetic purposes, even among the lanthanides, when it comes to the field of molecular magnetism, yet it ranks among the least studied metals. However, strong apathy towards this magnetic lanthanide means that vital information will be missed, which is required for the advancement of the subject. Herein, we have successfully demonstrated the usefulness of a hexanuclear neodymium complex as a magnetic material, and also in electronic device fabrication. A {NdIII6} cage with an aesthetically pleasing butterfly topology was synthesized using a rather non-conventional N-rich pyridyl-pyrazolyl-based ligand. The cage shows single-molecule magnet (SMM) properties, with an effective energy barrier, Ueff, the value of 3.4 K, and relaxation time, τ0, of 3.1 × 10−4 s, originating from an unusual occurrence of metal centers with different coordination environments. Furthermore, magnetic studies reveal significant cryogenic magnetic cooling, with a magnetic entropy change of 8.28 J kg−1 K−1 at 5 T and 3 K. To the best of our knowledge, the titular compound is the only example of an Nd-complex that exhibits concomitant magnetocaloric effect (MCE) and SMM properties. Complete active space self-consistent field (CASSCF) calculations were carried out to shed light on the origin of the magnetic anisotropy and magnetic relaxation of the compound. The same uniqueness is also true for the first electronic investigation carried out on the Nd complex. The maiden electronic device fabricated using the Nd complex shows an interesting intertwining of electronic and optical features, which contribute towards its improved photosensitized optoelectronic data. This journal is © The Royal Society of Chemistry

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IITH Creators:
IITH CreatorsORCiD
Singh, Saurabh KumarUNSPECIFIED
Item Type: Article
Additional Information: KSD and BP are thankful to DST-INSPIRE and SS and SA are thankful to UGC and CSIR for their respective research fellowships. RM gratefully acknowledges the Department of Science and Technology (DST), India, for financial assistance under the Empowerment and Equity Opportunities for Excellence in Science Programme (Project No. EEQ/2018/000194). SM is thankful for a Prime Minister Research Fellowship. SKS acknowledges the Department of Science and Technology for the Start-up Research Grant (SRG/2020/001323) and IIT Hyderabad for generous funding. PPR gratefully acknowledges the financial support of this work by SERB-DST, Govt. of India (Sanction No. EMR/2016/005387, Dated – 24.07.2017) and the RUSA 2.0 Scheme of Jadavpur University.
Uncontrolled Keywords: Device fabrications; Effective energy; Electronics devices; Metal centres; Molecular magnetism; Property; Pyrazolyl-based ligands; Pyridyl; Single-molecule magnet; Synthesised
Subjects: Others > Chemical sciences
Chemistry > Physical chemistry
Divisions: Department of Chemical Engineering
Department of Chemistry
Department of Physics
Depositing User: . LibTrainee 2021
Date Deposited: 14 Jul 2022 11:03
Last Modified: 14 Jul 2022 11:03
URI: http://raiith.iith.ac.in/id/eprint/9699
Publisher URL: https://doi.org/10.1039/D1DT02364K
OA policy: https://v2.sherpa.ac.uk/id/publication/18010
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