期刊文献+

Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H_2O)_6]^(3+) coordination complex in the sulfate alums series:a ligand field theory study

Effect of local structure on electron paramagnetic resonance spectra for trigonal [Cr(H_2O)_6]^(3+) coordination complex in the sulfate alums series:a ligand field theory study
下载PDF
导出
摘要 A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting (ZFS) parameter D and local distortion parameter △θ for Cr^3+ ions doped,separately,in α- and β- alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed. A simple theoretical method is introduced for studying the interrelation between electronic and molecular structures.By diagonalizing the 120 × 120 complete energy matrices,the relationships between zero-field splitting (ZFS) parameter D and local distortion parameter △θ for Cr^3+ ions doped,separately,in α- and β- alums are investigated.Our results indicate that there exists an approximately linear relationship between D and △θ in a temperature range 4.2-297 K and the signs of D and △θ are opposite to each other.Moreover,in order to understand the contribution of spin-orbit coupling coefficient ζ to ZFS parameter D,the relation between D and ζ is also discussed.
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第7期2967-2974,共8页 中国物理B(英文版)
基金 Project supported by the National Natural Science Foundation of China (Grant No 10774103) the Doctoral Education Fund of Education Ministry of China (Grant No 20050610011)
关键词 complete energy matrices electron paramagnetic resonance (EPR) spectra local structure complete energy matrices, electron paramagnetic resonance (EPR) spectra, local structure
  • 相关文献

参考文献37

  • 1Nyburg S C, Steed J W, Aleksovska S and Petrusevski V M 2000 Acta Cryst. B 56 204.
  • 2Rempfer N, Lerner H W and Bolte M 2004 Acta Cryst. E 60 i80.
  • 3Petrusevski V M and Soptrajanov B 2002 Bull. Chem. Technol. Macedonia 21 103.
  • 4Beattie J K and Best S P 1997 Coord. Chem. Rev. 166 391.
  • 5Lipson H 1935 Proc. Roy. Soc. A 151 347.
  • 6Krivokapic I, Noble C, Klitgaard S, Tregenna-Piggott P, Weihe H and Barra A L 2005 Angew. Chem. Int. Ed. 44 3613.
  • 7Krzystek J, Ozarowski A and Telser J 2006 Coord. Chem. Rev. 250 2308.
  • 8Tregenna-Piggott P L W, Best S P, O'Brien M C M, Knight K S, Forsyth J B and Pilbrow J R 1997 J. Am. Chem. Soc. 119 3324.
  • 9Armstrong R S, Berry A J, Cole B D and Nugent K W 1997 J. Chem. Soc. Dalton Trans. 363.
  • 10Beattie J K, Best S P, Favero P D, Skelton B W, Sobolev A N and White A H 1996 J. Chem. Soc. Dalton Trans. 1481.

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部