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[Cu(HF 2 ) 2 (pyrazine)] n : A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF − Bridges

2011; Wiley; Volume: 50; Issue: 7 Linguagem: Inglês

10.1002/anie.201006653

1521-3773

Jamie L. Manson, Michelle L. Warter, John A. Schlueter, Tom Lancaster, Andrew J. Steele, Stephen J. Blundell, F. L. Pratt, John Singleton, R. McDonald, Changhoon Lee, Myung‐Hwan Whangbo, Alex Plonczak,

Organic and Molecular Conductors Research

Angewandte Chemie International EditionVolume 50, Issue 7 p. 1573-1576 Communication [Cu(HF2)2(pyrazine)]n: A Rectangular Antiferromagnetic Lattice with a Spin Exchange Path Made Up of Two Different FHF− Bridges† Prof. Jamie L. Manson, Corresponding Author Prof. Jamie L. Manson [email protected] Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Search for more papers by this authorMichelle L. Warter, Michelle L. Warter Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Search for more papers by this authorDr. John A. Schlueter, Dr. John A. Schlueter Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (USA)Search for more papers by this authorDr. Tom Lancaster, Dr. Tom Lancaster Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorAndrew J. Steele, Andrew J. Steele Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorProf. Stephen J. Blundell, Prof. Stephen J. Blundell Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorDr. Francis L. Pratt, Dr. Francis L. Pratt ISIS Pulsed Muon Facility, Rutherford-Appleton Laboratory, Chilton, Didcot, OX11 0QX (UK)Search for more papers by this authorDr. John Singleton, Dr. John Singleton National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this authorDr. Ross D. McDonald, Dr. Ross D. McDonald National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this authorDr. Changhoon Lee, Dr. Changhoon Lee Department of Chemistry, North Carolina State University, Raleigh, NC 27695 (USA)Search for more papers by this authorProf. Myung-Hwan Whangbo, Prof. Myung-Hwan Whangbo Department of Chemistry, North Carolina State University, Raleigh, NC 27695 (USA)Search for more papers by this authorAlex Plonczak, Alex Plonczak National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this author Prof. Jamie L. Manson, Corresponding Author Prof. Jamie L. Manson [email protected] Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Search for more papers by this authorMichelle L. Warter, Michelle L. Warter Department of Chemistry and Biochemistry, Eastern Washington University, 226 Science, 526 5th St., Cheney, WA 99004 (USA), Fax: (+1) 509-359-6973Search for more papers by this authorDr. John A. Schlueter, Dr. John A. Schlueter Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 (USA)Search for more papers by this authorDr. Tom Lancaster, Dr. Tom Lancaster Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorAndrew J. Steele, Andrew J. Steele Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorProf. Stephen J. Blundell, Prof. Stephen J. Blundell Clarendon Laboratory, Department of Physics, Oxford University, Oxford, OX1 3PU (UK)Search for more papers by this authorDr. Francis L. Pratt, Dr. Francis L. Pratt ISIS Pulsed Muon Facility, Rutherford-Appleton Laboratory, Chilton, Didcot, OX11 0QX (UK)Search for more papers by this authorDr. John Singleton, Dr. John Singleton National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this authorDr. Ross D. McDonald, Dr. Ross D. McDonald National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this authorDr. Changhoon Lee, Dr. Changhoon Lee Department of Chemistry, North Carolina State University, Raleigh, NC 27695 (USA)Search for more papers by this authorProf. Myung-Hwan Whangbo, Prof. Myung-Hwan Whangbo Department of Chemistry, North Carolina State University, Raleigh, NC 27695 (USA)Search for more papers by this authorAlex Plonczak, Alex Plonczak National High Magnetic Field Laboratory, Los Alamos National Laboratory, Los Alamos, NM 87545 (USA)Search for more papers by this author First published: 14 January 2011 https://doi.org/10.1002/anie.201006653Citations: 15 † Work at EWU was supported by the National Science Foundation (NSF) under Grant No. DMR-1005825. Work at Argonne National Laboratory and North Carolina State University were supported by the Office of Basic Energy Sciences (BES), Division of Materials Sciences of the U.S. Department of Energy (DoE) under contract DE-AC02-06CH11357 and DE-FG02-86ER45259 and by the computing resources of the NERSC and HPC Centers. A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by the NSF Cooperative Agreement No. DMR-0654118, the State of Florida, and the U.S. DoE BES program “Science in 100 T.” This work was also supported by the EPSRC (UK). We gratefully acknowledge C. Baines (PSI) for technical assistance. We thank C. P. Landee for helpful discussions. Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical Abstract The two-dimensional antiferromagnet [Cu(HF2)2(pyz)]n (pyz=pyrazine) has a rectangular lattice (see picture) displaying two types of FHF− bridging modes. The spin exchange through Cu-(FHF)2-Cu is about 90 % stronger than through Cu-pyz-Cu, and the μ1,1-coordinated FHF−, which is close in nature to F−⋅⋅⋅HF, is largely responsible for the exchange. C black, Cu red, F green, H cyan. 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B 1998, 57, 1505. 25JFHF/kB=−96.7, −80.5 and −65.8 K from the GGA+U calculations with Ueff=5, 6 and 7 eV, respectively. These values are overestimated by an order of magnitude. Citing Literature Volume50, Issue7February 11, 2011Pages 1573-1576 ReferencesRelatedInformation