Structural tailoring of the NIR-absorption of bis(1,2-dichalcogenolene) Ni/Pt electrochromophores deriving from 1,3-dimethyl-2-chalcogenoxo-imidazoline-4,5-dichalcogenolates

Carlo Deiana, M. Carla Aragoni, Francesco Isaia, Vito Lippolis, Anna Pintus, Alexandra M. Z. Slawin, J. Derek Woollins, Massimiliano Arca

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

The choice of the metal ion M and the terminal Y and donor X chalcogen species (M = Ni, Pt; X, Y = S, Se) in square-planar complexes with 1,3-dimethyl-2-chalcogenoxo-imidazoline-4,5-dichalcogenolates allows fine-tuning both the redox stability and the energy of the peculiarly intense NIR electrochromic absorption, thanks to the subtle contribution of M, X, and Y to the relevant frontier molecular orbitals, investigated at IEF-PCM DFT and TD-DFT level.
Original languageEnglish
Pages (from-to)8206-8210
Number of pages5
JournalNew Journal of Chemistry
Volume40
Issue number10
Early online date10 Aug 2016
DOIs
Publication statusPublished - 1 Oct 2016

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