Back to Search
Start Over
Synthesis, crystal structure and theoretical investigation of two infinite two-dimensional supra-molecular compounds
- Source :
-
Journal of Molecular Structure . May2008, Vol. 879 Issue 1-3, p150-155. 6p. - Publication Year :
- 2008
-
Abstract
- Abstract: Two supra-molecular compounds: (1,1′-biphenyl)-4,4′-diammonium bis(3,5-dinitrobenzoate) (1) and 4,4′-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–H⋯O and O–H⋯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. [Copyright &y& Elsevier]
- Subjects :
- *CRYSTALLOGRAPHY
*HYDROGEN bonding
*CHARGE transfer
*SPECTRUM analysis
Subjects
Details
- Language :
- English
- ISSN :
- 00222860
- Volume :
- 879
- Issue :
- 1-3
- Database :
- Academic Search Index
- Journal :
- Journal of Molecular Structure
- Publication Type :
- Academic Journal
- Accession number :
- 31918201
- Full Text :
- https://doi.org/10.1016/j.molstruc.2007.08.025