Crystal Structure and Infrared Spectroscopy of Bis(2-hydrazinopyridine)palladium(ii) Chloride and its Isotopomers
Piotr Drożdżewski A C , Marta Musiała A and Maria Kubiak BA Faculty of Chemistry, Wrocław University of Technology, 50-370 Wrocław, Poland.
B Faculty of Chemistry, University of Wrocław, 50-383 Wrocław, Poland.
C Corresponding author. Email: piotr.drozdzewski@pwr.wroc.pl
Australian Journal of Chemistry 59(5) 329-335 https://doi.org/10.1071/CH06097
Submitted: 23 March 2006 Accepted: 16 May 2006 Published: 13 June 2006
Abstract
Two forms of [Pd(hypy)2]Cl2 complex have been prepared. The reaction of PdCl2 with 2-hydrazinopyridine (hypy) ligand carried out in DMF solution produces the title complex 1, whereas its recrystallization from methanol gives [Pd(hypy)2]Cl2·2MeOH 2. The latter compound was the subject of full, single-crystal X-ray analysis, which revealed the planar structure of the metal vicinity and trans-orientation of the ligands, chelating the metal through amine and pyridine nitrogen atoms. The vibrations of the complex cation [Pd(hypy)2]2+ were investigated using IR spectroscopy and DFT modelling employing the B3LYP functional and LanL2DZ basis set. The vibrations of the hydrazine moiety and palladium(ii) environment, detected by N-deuteration and 104Pd/110Pd stable isotope labelling, were also reproduced in the calculations.
Acknowledgments
This work was supported by Wrocław University of Technology (Project W3 343 158). Thanks are also due to Poznań Supercomputing Centre for computation facilities.
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