Amine-bridged binuclear palladium(II) complexes with inosine. Equilibrium studies and DFT calculations

Weber I, Puchta R, Shoukry MM (2013)

Publication Type: Journal article

Publication year: 2013

Journal

Journal of Coordination Chemistry Taylor & Francis

Book Volume: 66

Pages Range: 3469-3480

Journal Issue: 19

DOI: 10.1080/00958972.2013.840367

Abstract

Complex-formation equilibria involving trans-diamine palladium(II) (Pd II), 4,4′-bipyridine (bpy), and inosine were investigated at 25 °C and 0.1 M (NaNO3) ionic strength. The stability constants of all possible mono-nuclear and binuclear complexes were determined. The concentration distribution diagram for the binuclear complexes of PdII-bpy-inosine reveals the complexes that predominate in the physiological pH range and the quite feasible interaction of the binuclear complex PdII-bpy-Pd II with inosine as a DNA constituent. On the basis of DFT calculations (B3LYP/LANL2DZp), the structures of the investigated equilibrium species show typical bond lengths for Pd-O and Pd-N bonds. The C-C bond in [Pd(4,4′-bpy)(NH3)2(OH2)]2+ is clearly shortened to 1.47 Å, leading to reduced aromaticity in bpy. Comparison with model compounds suggests that the uncoordinated aromatic ring can be understood as an electron donating group. © 2013 Taylor & Francis.

Authors with CRIS profile

Immo Weber Lehrstuhl für Anorganische und Metallorganische Chemie Ralph Puchta Lehrstuhl für Anorganische und Metallorganische Chemie Rudi van Eldik Naturwissenschaftliche Fakultät

How to cite

APA:

Weber, I., Puchta, R., & Shoukry, M.M. (2013). Amine-bridged binuclear palladium(II) complexes with inosine. Equilibrium studies and DFT calculations. Journal of Coordination Chemistry, 66(19), 3469-3480. https://doi.org/10.1080/00958972.2013.840367

MLA:

Weber, Immo, Ralph Puchta, and Mohamed M. Shoukry. "Amine-bridged binuclear palladium(II) complexes with inosine. Equilibrium studies and DFT calculations." Journal of Coordination Chemistry 66.19 (2013): 3469-3480.

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