Quantum Chemical Studies on Nicotinato Lead(II) Complex [Pb(II)(C5H4NCOO)2]
Abstract:The title compound of nicotinato lead(II) complex [Pb(C 5 H 4 NCOO) 2 ] has been optimized at B3LYP/ LANL2DZ and HF/LANL2DZ levels of theory. The calculated results show that the lead(II) ion adopts 2-coordinate geometry, which is the same as its crystal structure and different from the 4-coordinate geometry of isonicotinato lead(II) complex. Atomic charge distributions indicate that during forming the title compound, each nicotinic acid ion transfers their negative charges to central lead(II) ion. The electro… Show more
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