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

Bulletin of the Korean chemical society

Hyun Joo Koo¹  Dae Hyun Kim¹ 

关键词: Spin dimer analysis;    Magnetic orbital;    Spin exchange interactions;    Electronic structure calculations;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

The spin exchange interactions of (VO)2(H2O){O3P-(CH2)3-PO3}.2H2O were examined by spin dimer analysis based on extended Huckel tight binding method. The strongest spin exchange interaction occurs through the super-superexchange path J2 and the second strongest spin exchange interaction occurs through the superexchange interaction path J1. There are two strongly interacting spin exchange paths in (VO)2(H2O){O3P-(CH2)3-PO3}.2H2O. Therefore, magnetic susceptibility curve of (VO)2(H2O){O3P-(CH2)3-PO3}.2H2O can be well reproduced by an alternating onedimensional antiferromagnetic chain model rather than an isolated spin dimer model.

【 授权许可】

Unknown