Theoretical study of electronic structures of several polyoxometalates

INOR 690

Zhong-Min Su Sr., zmsu@nenu.edu.cn, Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Renmin Street No.5268, Changchun, 130024, China
The electronic structures of polyoxometalates relate to most of the applications of these materials. The electronic structures of several polyoxometalates have been addressed using DFT and various computational methods. The implications of these findings will be elaborated in context with existing notions of bonding and structure in polyoxometalates.
 

Polyoxometalates and Related Clusters in Chemistry and Nanoscience
7:00 PM-10:00 PM, Tuesday, August 21, 2007 BCEC -- Exhibit Hall - B2, Poster

Division of Inorganic Chemistry

The 234th ACS National Meeting, Boston, MA, August 19-23, 2007