The Jahn-Teller distorsion of the di-nitroxo-di pyridine-copper(II) by Density Functional Theory

[Cu(pyridine)(NO3)] complex, which is stable under normal conditions was synthesized as convenient compound for the evaluation of the Jahn-Teller properties of similar copper (II) compounds. Experimental determination of the structure on the copper complex was done using a single crystal X-ray characterization. Quantum chemical calculation was performed using DFT approach for the Jahn-Teller systems developed by Daul C., & al. In this way, the determination of the distortional behavior of the Cu(II) complex was achieved. Results showed that theoretical and experimental investigations corroborate to achieve the better understanding of Jahn Teller effect.