Ligand exchange processes on solvated zinc cations - DFT analysis of hydrogen cyanide exchange on [Zn(HCN)6]2+

Alzoubi B, Puchta R, van Eldik R (2009)

Publication Type: Journal article

Publication year: 2009

Journal

Zeitschrift für Anorganische und Allgemeine Chemie Wiley

Book Volume: 635

Pages Range: 1536-1540

Journal Issue: 11

DOI: 10.1002/zaac.200900160

Abstract

The mechanisms for hydrogen cyanide exchange on [Zn(HCN)6] ²⁺ were studied using density functional theory (B3LYP/6311+G), and showed that the limiting dissociative (D) pathway is more favorable than the associative interchange (Ia) mechanism. The activation barrier for the dissociative mechanism (7 kcal-mol^-1) is clearly lower than for the interchange mechanism (15.9 kcal-mol^-1). © 2009 WILEYVCH Verlag GmbH & Co. KGaA.

Authors with CRIS profile

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

How to cite

APA:

Alzoubi, B., Puchta, R., & van Eldik, R. (2009). Ligand exchange processes on solvated zinc cations - DFT analysis of hydrogen cyanide exchange on [Zn(HCN)6]2+. Zeitschrift für Anorganische und Allgemeine Chemie, 635(11), 1536-1540. https://doi.org/10.1002/zaac.200900160

MLA:

Alzoubi, Basam, Ralph Puchta, and Rudi van Eldik. "Ligand exchange processes on solvated zinc cations - DFT analysis of hydrogen cyanide exchange on [Zn(HCN)6]2+." Zeitschrift für Anorganische und Allgemeine Chemie 635.11 (2009): 1536-1540.

BibTeX: Download