Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
권호 표지
DOI QR코드

DOI QR Code

Determination of Strongly Interacting Spin Exchange Path and Spin Lattice Model of (VO)2(H2O){O3P-(CH2)3-PO3}ㆍ2H2O on the Basis of Spin Dimer Analysis

  • Kim, Dae-Hyun (Department of Chemistry and Research institute of Basic Sciences, Kyung Hee University) ;
  • Koo, Hyun-Joo (Department of Chemistry and Research institute of Basic Sciences, Kyung Hee University)
  • Received : 2010.01.26
  • Accepted : 2010.04.08
  • Published : 2010.06.20
Download PDF
⟨ Previous Next ⟩

Abstract

The spin exchange interactions of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$ were examined by spin dimer analysis based on extended Huckel tight binding method. The strongest spin exchange interaction occurs through the super-superexchange path $J_2$ and the second strongest spin exchange interaction occurs through the superexchange interaction path $J_1$. There are two strongly interacting spin exchange paths in $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$. Therefore, magnetic susceptibility curve of $(VO)_2(H_2O){O_3P-(CH_2)_3-PO_3}{\cdot}2H_2O$ can be well reproduced by an alternating onedimensional antiferromagnetic chain model rather than an isolated spin dimer model.

Keywords

References

  1. Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2000, 39, 3599. https://doi.org/10.1021/ic000046t
  2. Whangbo, M.-H.; Koo, H.-J.; Dai, D. J. Solid State Chem. 2003, 176, 417. https://doi.org/10.1016/S0022-4596(03)00273-1
  3. Whangbo, M.-H.; Dai, D.; Koo, H.-J. Solid State Sci. 2005, 7, 827. https://doi.org/10.1016/j.solidstatesciences.2005.02.009
  4. Koo, H.-J.; Dai, D.; Whangbo, M.-H. Inorg. Chem. 2005, 44, 4359. https://doi.org/10.1021/ic050159i
  5. Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2006, 45, 4440. https://doi.org/10.1021/ic060392w
  6. Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2008, 47, 128. https://doi.org/10.1021/ic701153z
  7. Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2008, 47, 4779. https://doi.org/10.1021/ic800216j
  8. Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2001, 40, 2169.
  9. Koo, H.-J.; Whangbo, M.-H.; VerNooy, P. D.; Torardi, C. C.;Marshall, W. J. Inorg. Chem. 2002, 41, 4664. https://doi.org/10.1021/ic020249c
  10. Whangbo, M.-H.;Koo, H.-J.; Dai, D.; Jung, D. Inorg. Chem. 2003, 42, 3898. https://doi.org/10.1021/ic020551l
  11. Koo, H.-J.; Whangbo, M.-H.; Lee, K.-S. Inorg. Chem. 2003, 42,5932. https://doi.org/10.1021/ic030115e
  12. Dai, D.; Koo, H.-J.; Whangbo, M.-H. Inorg. Chem. 2004,43, 4026. https://doi.org/10.1021/ic035314c
  13. Koo, H.-J.; Dai, D.; Whangbo, M.-H. Inorg. Chem.2005, 44, 4359. https://doi.org/10.1021/ic050159i
  14. Bae, H. W.; Koo, H.-J. Bull. Korean Chem. Soc. 2008, 29, 122. https://doi.org/10.5012/bkcs.2008.29.1.122
  15. Johnston, D. C.; Johnson, J. W.; Goshorn, D. P.; Jacobson, A. J.Phys. Rev. B 1987, 35, 219. https://doi.org/10.1103/PhysRevB.35.219
  16. Barnes, T.; Riera, J. Phys. Rev. B 1994, 50, 6817. https://doi.org/10.1103/PhysRevB.50.6817
  17. Eccleston, R. S.; Barnes, T.; Brody, J.; Johnson, J. W. Phys. Rev. Lett. 1994, 73, 2626. https://doi.org/10.1103/PhysRevLett.73.2626
  18. Garret, A. W.; Nagler, S. E.; Tennant, D. A.; Sales, B. C.; Barnes,T. Phys. Rev. Lett. 1997, 79, 745. https://doi.org/10.1103/PhysRevLett.79.745
  19. Kikuchi, J.; Motoya, K.; Yamauchi, T.; Ueda, Y. Phys. Rev. B1999, 60, 6731. https://doi.org/10.1103/PhysRevB.60.6731
  20. Riou, D.; Serre, C.; Provost, J.; Ferey, G. J. Solid State Chem.2000, 155, 238. https://doi.org/10.1006/jssc.2000.8947
  21. Bleaney, B.; Bowers, K. D. Proc. Roy. Soc. (London) Ser. A 1952,214, 451. https://doi.org/10.1098/rspa.1952.0181
  22. Johnson, J. W.; Johnston, D. C.; Jacobson, A. J.; Brody, J. F.J. Am. Chem. Soc. 1984, 106, 8123. https://doi.org/10.1021/ja00338a020
  23. Johnston, D. C.; Johnson,J. W. J. Chem. Soc. Chem. Commun. 1985, 23, 1720.
  24. Hay, P. J.; Thibeault, J. C.; Hoffmann, R. J. Am. Chem. Soc. 1975,97, 4884. https://doi.org/10.1021/ja00850a018
  25. Hoffmann, R. J. Chem. Phys. 1963, 39, 1397. https://doi.org/10.1063/1.1734456
  26. Our calculations were carried out by employing the SAMOA(Structure and Molecular Orbital Analyzer) program package(Dai, D.; Ren, J.; Liang, W.; Whangbo, M.-H. http://chvamw.chem.ncsu.edu/, 2002).
  27. Clementi, E.; Roetti, C. At. Data Nucl. Data Tables 1974, 14, 177. https://doi.org/10.1016/S0092-640X(74)80016-1
  28. Koo, H.-J.; Whangbo, M.-H. Solid State Sci. 2010, 12, 685. https://doi.org/10.1016/j.solidstatesciences.2009.03.023