Comprehensive approach to simulate vibrationally resolved phosphorescence spectra of gold(III) complexes using DFT including temperature effects

Autor: Camille Latouche, Abdou Boucekkine, D. Hammoutène, Aziz Elkechai, Emmanuel Fritsch, Hayat Ayache

Publikováno v: Theoretical Chemistry Accounts: Theory, Computation, and Modeling
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2017, 136 (9), pp.108. ⟨10.1007/s00214-017-2135-6⟩
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2017, 136 (9), pp.108. ⟨10.1007/s00214-017-2135-6⟩

International audience; The present paper reports on a full quantum investigation of the optical properties of six Au(III) luminescent complexes. Among others, the most striking result concerns the reproduction of the luminescent spectra of two key c

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d12d06b994f94bc102511687191afc1
https://univ-rennes.hal.science/hal-01614776