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Experimental and quantum-chemical studies of 1H, 13C and 15N NMR coordination shifts in Au(III), Pd(II) and Pt(II) chloride complexes with picolines

✍ Scribed by Leszek Pazderski; Jaromír Toušek; Jerzy Sitkowski; Kateřina Maliňáková; Lech Kozerski; Edward Szłyk

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
342 KB
Volume
47
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^1^H, ^13^C and ^15^N NMR studies of gold(III), palladium(II) and platinum(II) chloride complexes with picolines, [Au(PIC)Cl~3~], trans‐[Pd(PIC)~2~Cl~2~], trans/cis‐[Pt(PIC)~2~Cl~2~] and [Pt(PIC)~4~]Cl~2~, were performed. After complexation, the ^1^H and ^13^C signals were shifted to higher frequency, whereas the ^15^N ones to lower (by ca 80–110 ppm), with respect to the free ligands. The ^15^N shielding phenomenon was enhanced in the series [Au(PIC)Cl~3~] < trans‐[Pd(PIC)~2~Cl~2~] < cis‐[Pt(PIC)~2~Cl~2~] < trans‐[Pt(PIC)~2~Cl~2~]; it increased following the Pd(II) → Pt(II) replacement, but decreased upon the trans → cis‐transition. Experimental ^1^H, ^13^C and ^15^N NMR chemical shifts were compared to those quantum‐chemically calculated by B3LYP/LanL2DZ + 6‐31G**//B3LYP/LanL2DZ + 6‐31G*. Copyright © 2008 John Wiley & Sons, Ltd.

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