TITLE:
Synthesis, Crystal Structure and Infrared Characterization of Bis(4-dimethylamino-pyridinium) Tetrachlorocuprate
AUTHORS:
Mahjouba Ben Nasr, Frédéric Lefebvre, Chérif Ben Nasr
KEYWORDS:
Crystal Structure, 4-Dimethylaminopyridine, Hydrogen Bonds, π-π Interactions, DFT Calculations
JOURNAL NAME:
American Journal of Analytical Chemistry,
Vol.6 No.5,
April
13,
2015
ABSTRACT: The chemical preparation, crystal structure and spectroscopic characterization of a novel organic-inorganic hybrid material, bis(4-dimethylaminopyridinium) tetrachlorocuprate, have been reported. This compound crystallizes in the monoclinic system in space group C2/c and cell parameters a = 12.4356 (18), b = 12.0901 (17), c = 14.094 (2) Å, β = 115.303 (2)°, Z = 4 and V = 1915.8 (5) Å3. In the title salt, (C7H11N2)2CuCl4, both 4-dimethylaminopyridinium cations are protonated at their pyridine N atoms. The geometry of the CuCl2-4 ions is intermediate between tetrahedral and square planar. The atomic arrangement can be described by an alternation of inorganic layers built up by tetrachlorocuprate anions and organic layers formed by 4-dimethylaminopyridinium cations. The organic layers are located in sandwich between the inorganic layers. The anionic and cationic layers are held together by N-H···Cl and C-H···Cl hydrogen bonds into a three-dimensional network. The individual cations are π-π stacked with their neighbors at a distance of 3.7622 (5) Å. The vibrational absorption bands were identified by infrared spectroscopy and DFT calculations allowed their attribution.