Abstract
Theoretical molecular structures of the complexes cis-[PdCl 2(tmen)] and cis-[Pd(N 3) 2(tmen)] (tmen = N,N,N′ ,N′-tetramethylethylenediamine) were investigated using B3LYP/DFT method. The calculated molecular parameters, bond distances and angles, revealed a square-planar geometry around the metallic center for both compounds with the azide being linear. The theoretical infrared spectra of C 1 symmetry (electronic state 1A) of the compounds are in agreement with the experimental data.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
