Issue 36, 2008
From the journal:

Physical Chemistry Chemical Physics

Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

Dominik Schaniel,*a   Theo Woike,a   Bernard Delley,b   Colette Boskovic†c  and  Hans-Ueli Güdelc  

* Corresponding authors

a I. Physikalisches Institut, Universität zu Köln, Zülpicherstrasse 77, Köln, Germany
E-mail: dominik.schaniel@uni-koeln.de

b Condensed Matter Theory, Paul Scherrer Institute, 5232 Villigen PSI, Switzerland

c Department of Chemistry and Biochemistry, University of Bern, Freiestr. 3, Bern 9, Switzerland

Abstract

Photogeneration of side-on N2 linkage isomers in [Ru(NH3)5N2]2+ and [Os(NH3)5N2]2+ is achieved by irradiation with λ = 325 nm of powder samples at T = 80 K and detected by the downshift of the ν(N–N) vibration and by the heat release at elevated temperature due to the back switching of the side-on configuration to the ground state. The concentration of the transferred molecules is evaluated by the decrease of the area of the ν(N–N) or 2ν(N–N) vibrational bands. All characteristic changes between the linear Ru–N–N and side-on configuration are predicted by DFT calculations: the structure of the anion, shifts of the vibrations, electronic excitation energy, energetic position and sequence of the electronic orbitals, the potentials of the ground and relaxed metastable state with the activation energy, saddle points and energetic position of the minimum.

Graphical abstract: Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

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Article information

DOI
https://doi.org/10.1039/B806933F
Article type
Paper
Submitted
24 Apr 2008
Accepted
09 Jun 2008
First published
23 Jul 2008

Phys. Chem. Chem. Phys., 2008,10, 5531-5538

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Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

D. Schaniel, T. Woike, B. Delley, C. Boskovic and H. Güdel, Phys. Chem. Chem. Phys., 2008, 10, 5531 DOI: 10.1039/B806933F

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