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Title: Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3

Abstract

The quasi-one-dimensional molecule-based Heisenberg antiferromagnet Cu(NO3)2(pyz)3 has an intrachain coupling J = 13.7(1) K ($$\hat{H}$$ = J$$^{Σ}_{i}S_{i}$$• Si+1) and exhibits a state of long-range magnetic order below TN = 0.105(1) K. The ratio of interchain to intrachain coupling is estimated to be |J'/J| = 3.3 × 10–3, demonstrating a high degree of isolation for the Cu chains.

Authors:
ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [4]; ORCiD logo [5];  [6]; ORCiD logo [7]; ORCiD logo [8];  [9]; ORCiD logo [9]
  1. Centre for Materials Physics, Durham University, Durham DH1 3LE, UK
  2. Department of Physics, University of Warwick, Coventry, UK
  3. Department of Chemistry and Biochemistry, University of Bern, Bern, Switzerland, Laboratory for Neutron Scattering and Imaging
  4. Department of Physics, Clarendon Laboratory, University of Oxford, Oxford OX1 3PU, UK
  5. ISIS Pulsed Muon Facility, STFC Rutherford Appleton Laboratory, Chilton, UK
  6. National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, USA
  7. Department of Chemistry and Biochemistry, University of Bern, Bern, Switzerland, Polytechnic of Milan
  8. Department of Chemistry and Biochemistry, University of Bern, Bern, Switzerland
  9. Department of Chemistry and Biochemistry, Eastern Washington University, Cheney, USA
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); European Research Council (ERC)
OSTI Identifier:
1523545
Alternate Identifier(s):
OSTI ID: 1488668; OSTI ID: 1561076
Report Number(s):
LA-UR-18-30771
Journal ID: ISSN 1463-9076; PPCPFQ
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Published Article
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 21 Journal Issue: 3; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Huddart, Benjamin M., Brambleby, Jamie, Lancaster, Tom, Goddard, Paul A., Xiao, Fan, Blundell, Stephen J., Pratt, Francis L., Singleton, John, Macchi, Piero, Scatena, Rebecca, Barton, Alyssa M., and Manson, Jamie L. Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3. United Kingdom: N. p., 2019. Web. doi:10.1039/C8CP07160H.
Huddart, Benjamin M., Brambleby, Jamie, Lancaster, Tom, Goddard, Paul A., Xiao, Fan, Blundell, Stephen J., Pratt, Francis L., Singleton, John, Macchi, Piero, Scatena, Rebecca, Barton, Alyssa M., & Manson, Jamie L. Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3. United Kingdom. doi:10.1039/C8CP07160H.
Huddart, Benjamin M., Brambleby, Jamie, Lancaster, Tom, Goddard, Paul A., Xiao, Fan, Blundell, Stephen J., Pratt, Francis L., Singleton, John, Macchi, Piero, Scatena, Rebecca, Barton, Alyssa M., and Manson, Jamie L. Thu . "Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3". United Kingdom. doi:10.1039/C8CP07160H.
@article{osti_1523545,
title = {Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO 3 ) 2 (pyz) 3},
author = {Huddart, Benjamin M. and Brambleby, Jamie and Lancaster, Tom and Goddard, Paul A. and Xiao, Fan and Blundell, Stephen J. and Pratt, Francis L. and Singleton, John and Macchi, Piero and Scatena, Rebecca and Barton, Alyssa M. and Manson, Jamie L.},
abstractNote = {The quasi-one-dimensional molecule-based Heisenberg antiferromagnet Cu(NO3)2(pyz)3 has an intrachain coupling J = 13.7(1) K ($\hat{H}$ = J$^{Σ}_{i}S_{i}$• Si+1) and exhibits a state of long-range magnetic order below TN = 0.105(1) K. The ratio of interchain to intrachain coupling is estimated to be |J'/J| = 3.3 × 10–3, demonstrating a high degree of isolation for the Cu chains.},
doi = {10.1039/C8CP07160H},
journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
number = 3,
volume = 21,
place = {United Kingdom},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8CP07160H

Citation Metrics:
Cited by: 4 works
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    Works referencing / citing this record:

    Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations
    journal, October 2012

    • Peintinger, Michael F.; Oliveira, Daniel Vilela; Bredow, Thomas
    • Journal of Computational Chemistry, Vol. 34, Issue 6
    • DOI: 10.1002/jcc.23153

    C RYSTAL14 : A program for the ab initio investigation of crystalline solids
    journal, March 2014

    • Dovesi, Roberto; Orlando, Roberto; Erba, Alessandro
    • International Journal of Quantum Chemistry, Vol. 114, Issue 19
    • DOI: 10.1002/qua.24658

    On the superexchange mechanism in polymeric, pyrazine-bridged copper(II) complexes
    journal, February 1976

    • Richardson, H. Wayne; Hatfield, William E.
    • Journal of the American Chemical Society, Vol. 98, Issue 3
    • DOI: 10.1021/ja00419a035

    Experimental and Theoretical Electron Density Analysis of Copper Pyrazine Nitrate Quasi-Low-Dimensional Quantum Magnets
    journal, February 2016

    • Dos Santos, Leonardo H. R.; Lanza, Arianna; Barton, Alyssa M.
    • Journal of the American Chemical Society, Vol. 138, Issue 7
    • DOI: 10.1021/jacs.5b12817

    Alkali counterions tune diruthenium( iii , iii )-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops
    journal, January 2019

    • Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin
    • Dalton Transactions, Vol. 48, Issue 23
    • DOI: 10.1039/c9dt01295h

    Experimentally determining the exchange parameters of quasi-two-dimensional Heisenberg magnets
    journal, August 2008


    Magnetic order and enhanced exchange in the quasi-one-dimensional molecule-based antiferromagnet Cu(NO3)2(pyz)3 [dataset]
    dataset, January 2019

    • Lancaster, Tom; Huddart, Benjamin M.; Brambleby, Jamie
    • Durham University
    • DOI: 10.15128/r23b5918582

    Alkali counterions tune diruthenium( iii , iii )-based ferrimagnetic chain structured antiferromagnets exhibiting step-like hysteresis loops
    journal, January 2019

    • Fan, Xiao-Meng; Li, Jing-Yu; Wang, Lin-Lin
    • Dalton Transactions, Vol. 48, Issue 23
    • DOI: 10.1039/c9dt01295h