Magneto-structural studies of an unusual [MnIIIMnIIGdIII(OR)4]4– partial cubane from 2,2'-bis-p-tBu-calix[4]arene
Abstract
Reaction of 2,2'-bis-p-tBu-calix[4]arene (H8L) with MnCl2·4H2O, GdCl3·6H2O and 2,6-pyridinedimethanol (H2pdm) affords [MnIIIMnIIGdIII(H3L)(pdmH)(pdm)(MeOH)2(dmf)]·3MeCN·dmf (3·3MeCN·dmf) upon vapour diffusion of MeCN into the basic dmf/MeOH mother liquor. 3 crystallises in the tetragonal space group P41212 with the asymmetric unit comprising the entire cluster. The highly unusual core contains a triangular arrangement of MnIIIMnIIGdIII ions housed within a [MnIIIMnIIGdIII(OR)4]4– partial cubane. Magnetic susceptibility and magnetisation data reveal best fit parameters JMn(II)–Mn(III) = +0.415 cm–1, JMn(III)–Gd(III) = +0.221 cm–1, JMn(II)–Gd(III) = –0.258 cm–1 and DMn(III) = –4.139 cm–1. Theoretically derived magnetic exchange interactions, anisotropy parameters, and magneto-structural correlations for 3 are in excellent agreement with the experimental data.
- Authors:
-
[1];
[2];
[3];
[2];
[2];
[4]
- Heriot-Watt Univ., Edinburgh, Scotland (United Kingdom); Univ. of Edinburgh, Scotland (United Kingdom)
- Univ. of Edinburgh, Scotland (United Kingdom)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- Heriot-Watt Univ., Edinburgh, Scotland (United Kingdom)
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); Engineering and Physical Sciences Resource Council (EPSRC); European Commission (EC)
- OSTI Identifier:
- 1763669
- Grant/Contract Number:
- AC02-05CH11231; EP/I03255X/1; EP/I031421/1; MMQIP-832488
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Dalton Transactions
- Additional Journal Information:
- Journal Volume: 49; Journal Issue: 42; Journal ID: ISSN 1477-9226
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Coletta, Marco, Sanz, Sergio, Cutler, Daniel J., Teat, Simon J., Gagnon, Kevin J., Singh, Mukesh K., Brechin, Euan K., and Dalgarno, Scott J. Magneto-structural studies of an unusual [MnIIIMnIIGdIII(OR)4]4– partial cubane from 2,2'-bis-p-tBu-calix[4]arene. United States: N. p., 2020.
Web. doi:10.1039/d0dt02731f.
Coletta, Marco, Sanz, Sergio, Cutler, Daniel J., Teat, Simon J., Gagnon, Kevin J., Singh, Mukesh K., Brechin, Euan K., & Dalgarno, Scott J. Magneto-structural studies of an unusual [MnIIIMnIIGdIII(OR)4]4– partial cubane from 2,2'-bis-p-tBu-calix[4]arene. United States. https://doi.org/10.1039/d0dt02731f
Coletta, Marco, Sanz, Sergio, Cutler, Daniel J., Teat, Simon J., Gagnon, Kevin J., Singh, Mukesh K., Brechin, Euan K., and Dalgarno, Scott J. Wed .
"Magneto-structural studies of an unusual [MnIIIMnIIGdIII(OR)4]4– partial cubane from 2,2'-bis-p-tBu-calix[4]arene". United States. https://doi.org/10.1039/d0dt02731f. https://www.osti.gov/servlets/purl/1763669.
@article{osti_1763669,
title = {Magneto-structural studies of an unusual [MnIIIMnIIGdIII(OR)4]4– partial cubane from 2,2'-bis-p-tBu-calix[4]arene},
author = {Coletta, Marco and Sanz, Sergio and Cutler, Daniel J. and Teat, Simon J. and Gagnon, Kevin J. and Singh, Mukesh K. and Brechin, Euan K. and Dalgarno, Scott J.},
abstractNote = {Reaction of 2,2'-bis-p-tBu-calix[4]arene (H8L) with MnCl2·4H2O, GdCl3·6H2O and 2,6-pyridinedimethanol (H2pdm) affords [MnIIIMnIIGdIII(H3L)(pdmH)(pdm)(MeOH)2(dmf)]·3MeCN·dmf (3·3MeCN·dmf) upon vapour diffusion of MeCN into the basic dmf/MeOH mother liquor. 3 crystallises in the tetragonal space group P41212 with the asymmetric unit comprising the entire cluster. The highly unusual core contains a triangular arrangement of MnIIIMnIIGdIII ions housed within a [MnIIIMnIIGdIII(OR)4]4– partial cubane. Magnetic susceptibility and magnetisation data reveal best fit parameters JMn(II)–Mn(III) = +0.415 cm–1, JMn(III)–Gd(III) = +0.221 cm–1, JMn(II)–Gd(III) = –0.258 cm–1 and DMn(III) = –4.139 cm–1. Theoretically derived magnetic exchange interactions, anisotropy parameters, and magneto-structural correlations for 3 are in excellent agreement with the experimental data.},
doi = {10.1039/d0dt02731f},
journal = {Dalton Transactions},
number = 42,
volume = 49,
place = {United States},
year = {Wed Oct 14 00:00:00 EDT 2020},
month = {Wed Oct 14 00:00:00 EDT 2020}
}
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