Issue 7, 2001
From the journal:

New Journal of Chemistry

Central metal dependence of the NO+–NO− isomerism in pentacoordinate MX(CO)(NO)(PR3)2 complexes

Alexandros L. Rizopoulosa  and  Michael P. Sigalas*a  

* Corresponding authors

a Laboratory of Applied Quantum Chemistry, Department of Chemistry, Aristotle Uniersity of Thessaloniki, Thessaloniki, Greece
E-mail: siglas@chem.auth.gr

Abstract

A metal dependence of the structure adopted by ML4(NO) complexes has been found in the isoelectronic OsCl(CO)(NO)(PR3)2 and [IrCl(CO)(NO)(PR3)2]+ complexes, in addition to the well-known effects of the nature of the co-ligands L. In the ab initio potential energy surfaces of the two complexes at the HF and MP2 levels two minima have been located, with their relative energies dependent on the nature of the central metal atom. In the case of the Os complex, a trigonal bipyramidal coordination sphere with a linear NO group is the global minimum, whereas the most stable structure for the Ir complex is square pyramidal with an apical bent NO. Finally, a trigonal bipyramidal structure with a linear NO was calculated as the optimum structure for the related complex Os(CH2)(CO)(NO)(PR3)2.

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Article information

DOI
https://doi.org/10.1039/B102308J
Article type
Paper
Submitted
12 Mar 2001
Accepted
18 Apr 2001
First published
12 Jun 2001

New J. Chem., 2001,25, 981-984

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Central metal dependence of the NO+–NO− isomerism in pentacoordinate MX(CO)(NO)(PR3)2 complexes

A. L. Rizopoulos and M. P. Sigalas, New J. Chem., 2001, 25, 981 DOI: 10.1039/B102308J

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