EMAIL THIS PAGE TO A FRIEND

Molecules (Basel, Switzerland)

Hybridization vs. bond stretching isomerism in Ru(II) cyclometalated complexes of 2-phenylpyridine.


PMID 22193212

Abstract

The phenomenon of formation of two isomers, yellow and orange, of the cyclometalated Ru(II) complex, [Ru(o-C₆H₄-py)(MeCN)₄]⁺, was investigated by EELS spectroscopy and theoretical calculations. Both forms show very similar structures and spectroscopic properties, but slight differences in X-ray data and absorption between them were noted. No double minimum on the potential energy surface was found and thus these two forms cannot be considered as bond stretching isomers. However, the DFT study revealed the change in the hybridization of the carbon in trans-position of one of acetonitrile ligands. This effect can be responsible for the difference in colour. The results of the theoretical modelling coincide well with the experimental EELS data.

Related Materials

Product #

Image

Description

Molecular Formula

Add to Cart

P33402
2-Phenylpyridine, 98%
C11H9N