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Benzamidinium d-glucuronate: Spectroscopic and structural elucidation
- Source :
-
Journal of Molecular Structure . May2008, Vol. 879 Issue 1-3, p30-39. 10p. - Publication Year :
- 2008
-
Abstract
- Abstract: Benzamidinium d-glucuronate (1) crystallizes in the orthorhombic space group P212121 and exhibits a 3D network with molecules linked by moderate intermolecular hydrogen bonds (HNH…O(solvent) 2.993Å, HNH…OCO 2.894Å, HNH…O(cycle) 2.844Å, OH…NH2 2.931Å, OH…O(solvent) 2.894, 2.924 and 2.715Å (stronger)) with participation of cations, anions and solvent molecules. The IR-band assignment of carbohydrate moieties is elucidated by a comparison between the types and bond lengths of intermolecular interactions with participation of OH groups in d-glucuronate and linear polarized IR-(IR-LD) spectroscopic data. Experimental results are supported by theoretical ab initio calculations of benzamidinium cation and d-glucuronate anion. [Copyright &y& Elsevier]
- Subjects :
- *GLUCURONIDES
*SPECTRUM analysis
*HYDROGEN bonding
*CATIONS
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 :
- 31918189
- Full Text :
- https://doi.org/10.1016/j.molstruc.2007.08.013