Combined Ab Initio Computational and Infrared Spectroscopic Study of the cis - and trans -Bis(glycinato)copper(II) Complexes in Aqueous Environment

The cis/trans isomerization of Cu(II)–bi

The cis/trans isomerization of Cu(II)–bis-(glycinato) complex in solution: a computer aided multifrequency EPR and DFT/PCM calculation study

✍ M. Pezzato; G. Della Lunga; M. C. Baratto; A. Sinicropi; R. Pogni; R. Basosi 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 309 KB

## Abstract In this paper the Cu(II)–bis‐(glycinato) complex has been analysed in solution by applying a combined approach of multifrequency EPR and DFT/PCM calculations. The accuracy in the determination of magnetic parameters has been reached by the use of a unique simulation program (COSMOS) for