Synthesis, magnetic and vibrational properties of two novel mixed-valence iron(II)-iron(III) formate frameworks

Mirosław Mączka , Edyta Kucharska , Anna Gągor , Jerzy Hanuza , Adam Pikul

Abstract

We report synthesis of two novel mixed-valence iron(II)-iron(III) formate frameworks templated by Nethylmethylammonium (EtMeA+) and 2-Hydroxyethylammonium (HEA+) cations. X-ray diffraction shows that these compounds crystallize in the P 31c niccolite-type structures. Optical studies confirm mixed-valence character of these compounds. Magnetic investigation reveals that both N-ethylmethylammonium iron formate (EtMeAFeFe) and 2-Hydroxyethylammonium iron formate (HEAFeFe) exhibit magnetic order at 36.5 and 37.0 K, respectively. EtMeAFeFe also exhibits large negative magnetization below 31.0 K indicating that this compound is an N-type ferrimagnet. We also present Raman and IR data for both compounds. In order to help assignment of modes corresponding to the EtMeA+ cation, we also performed quantum chemical calculations to derive the harmonic and anharmonic vibrational wavenumbers. The performed calculations revealed that protonation should affect most strongly modes related to vibrations of the N–H bonds as well as the stretching modes of the CH2 and CH3 groups attached to the N atom
Author Mirosław Mączka - Institute of Low Temperatures and Structure Research Polish Academy of Sciences (INTiBS PAN) [Polish Academy of Sciences (PAN)]
Mirosław Mączka,,
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, Edyta Kucharska (EaE / IChaFT / DBCh)
Edyta Kucharska,,
- Department of Bioorganic Chemistry
, Anna Gągor - Institute of Low Temperatures and Structure Research Polish Academy of Sciences (INTiBS PAN) [Polish Academy of Sciences (PAN)]
Anna Gągor,,
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, Jerzy Hanuza (EaE / IChaFT / DBCh) - [inna]
Jerzy Hanuza,,
- Department of Bioorganic Chemistry
- inna
, Adam Pikul - Institute of Low Temperatures and Structure Research Polish Academy of Sciences (INTiBS PAN) [Polish Academy of Sciences (PAN)]
Adam Pikul,,
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Journal seriesJournal of Solid State Chemistry, ISSN 0022-4596, (A 30 pkt)
Issue year2018
No258
Pages163-169
Publication size in sheets0.5
Keywords in EnglishMetal organic framework, Magnetization, Infrared, Raman, DFT calculations
ASJC Classification1604 Inorganic Chemistry; 1606 Physical and Theoretical Chemistry; 2503 Ceramics and Composites; 2504 Electronic, Optical and Magnetic Materials; 2505 Materials Chemistry; 3104 Condensed Matter Physics
DOIDOI:10.1016/j.jssc.2017.10.016
URL http://dx.doi.org/10.1016/j.jssc.2017.10.016
Languageen angielski
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Maczka_Kucharska_Gagor_Hanuza_Synthesis, magnetic and vibrational.pdf 717,76 KB
Score (nominal)30
Score sourcejournalList
Publication indicators WoS Citations = 4; Scopus SNIP (Source Normalised Impact per Paper): 2018 = 0.753; WoS Impact Factor: 2018 = 2.291 (2) - 2018=2.075 (5)
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