Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1407390 | Journal of Molecular Structure | 2008 | 6 Pages |
Abstract
Two supra-molecular compounds: (1,1â²-biphenyl)-4,4â²-diammonium bis(3,5-dinitrobenzoate) (1) and 4,4â²-methylene bis(benzenammonium) bis(3,5-dinitrobenzoate) monohydrate (2) were synthesized and characterized by IR spectrum, UV spectrum and element analysis. The single crystal structure analysis indicates that these compositions in two compounds are linked through N-Hâ¯O and O-Hâ¯O hydrogen bonds into infinite two-dimensional structure. Moreover, theoretical investigation was performed by using RHF/6-31G(d) method, and their stabilities, frontier molecular orbital composition and Mulliken charge distribution were discussed.
Related Topics
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Authors
Zi-Liang Wang, Lin-Heng Wei, Ming-Xue Li, Jing-Ping Wang,