The effect of hydrostatic pressure and temperature on the local molecular structure for Mn2+ ions in the Zn(BF4)(2)center dot 6H(2)O:Mn2+ sys- tern have been investigated by diagonalizing the complete energy matrices for a d(5) configuration ion in a trigonal ligand-field. By simulating the EPR parameters D and (a - F), the local lattice structure parameters R and theta under different conditions have been determined. The results show that the local lattice structure of the [Mn(H2O)(6)](2+) octahedron has a compressed distortion with increasing the pressure, and a elongated distortion with the temperature rising. Moreover, the electronic transition energies for Mn 2+ ions in the Zn(BF4)(2)center dot 6H(2)O crystal at 293 K are reported for the first time. (c) 2007 Elsevier B.V. All rights reserved.
部门归属
sichuan univ, inst atom phys, chengdu 610065, peoples r china. acad sinica, int ctr mat phys, shenyang 110016, peoples r china.;xiao-yu, k (reprint author), sichuan univ, inst atom phys, chengdu 610065, peoples r china;scu-kxy@163.com
Y. Xiong,K. Xiao-Yu. EPR theoretical study of hydrostatic pressure and temperature dependence of local lattice structure for Mn(H2O)(6) (2+) octahedral complex in the Zn(BF4)(2) center dot 6H(2)O : Mn2+ system[J]. Chemical Physics Letters,2007,444(1-3):101-106.
APA
Y. Xiong,&K. Xiao-Yu.(2007).EPR theoretical study of hydrostatic pressure and temperature dependence of local lattice structure for Mn(H2O)(6) (2+) octahedral complex in the Zn(BF4)(2) center dot 6H(2)O : Mn2+ system.Chemical Physics Letters,444(1-3),101-106.
MLA
Y. Xiong,et al."EPR theoretical study of hydrostatic pressure and temperature dependence of local lattice structure for Mn(H2O)(6) (2+) octahedral complex in the Zn(BF4)(2) center dot 6H(2)O : Mn2+ system".Chemical Physics Letters 444.1-3(2007):101-106.
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