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Vibronic Coupling Investigation to Compute Phosphorescence Spectra of Pt(II) Complexes: New Article in Inorganic Chemistry

The paper reports a comprehensive quantum mechanical investigation on the luminescence properties of several mono- and dinuclear platinum(II) complexes.

Vibronic coupling is a powerful tool to compute with accuracy emission spectra
En bleu la courbe observée (expérience) en rouge la courbe simulée par nos calculs

The electronic structures and geometric parameters were briefly analyzed and also the absorption bands of all complexes. In both cases, agreement with experiment is remarkable. Emission (phosphorescence) spectra from the first triplet states were investigated by comparing different computational approaches and taking into account also vibronic effects, leading to a good agreement with respect to experiment.

The paper is available here.

A propos de Camille Latouche

Dr. in Computational Chemistry, my field of research is the Coordination Chemistry (complexes, organometallics, clusters). I like spending my time writing web articles and reviewing TV series, movies and books. I am also the founder of http://avisdupublic.net