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

doi:10.1039/C6NJ01854H

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 journal › Article › peer-review

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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 language	English
Pages (from-to)	8206-8210
Number of pages	5
Journal	New Journal of Chemistry
Volume	40
Issue number	10
Early online date	10 Aug 2016
DOIs	https://doi.org/10.1039/C6NJ01854H
Publication status	Published - 1 Oct 2016

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10.1039/C6NJ01854HLicence: CC BY

Slawin_2016_NJC_NIR-absorption_CC
Copyright 2016 the Authors. Open Access article. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
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Deiana, C., Aragoni, M. C., Isaia, F., Lippolis, V., Pintus, A., Slawin, A. M. Z., Woollins, J. D., & Arca, M. (2016). 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. New Journal of Chemistry, 40(10), 8206-8210. https://doi.org/10.1039/C6NJ01854H

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title = "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",

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.",

author = "Carlo Deiana and Aragoni, {M. Carla} and Francesco Isaia and Vito Lippolis and Anna Pintus and Slawin, {Alexandra M. Z.} and Woollins, {J. Derek} and Massimiliano Arca",

note = "The Dipartimento di Scienze Chimiche e Geologiche of the Universit{\`a} degli Studi di Cagliari and Banco di Sardegna, Italy are kindly acknowledged for financial support (PRID 2015).",

year = "2016",

month = oct,

day = "1",

doi = "10.1039/C6NJ01854H",

language = "English",

volume = "40",

pages = "8206--8210",

journal = "New Journal of Chemistry",

issn = "1144-0546",

publisher = "ROYAL SOC CHEMISTRY",

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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. / Deiana, Carlo; Aragoni, M. Carla; Isaia, Francesco et al.
In: New Journal of Chemistry, Vol. 40, No. 10, 01.10.2016, p. 8206-8210.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - 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

AU - Deiana, Carlo

AU - Aragoni, M. Carla

AU - Isaia, Francesco

AU - Lippolis, Vito

AU - Pintus, Anna

AU - Slawin, Alexandra M. Z.

AU - Woollins, J. Derek

AU - Arca, Massimiliano

N1 - The Dipartimento di Scienze Chimiche e Geologiche of the Università degli Studi di Cagliari and Banco di Sardegna, Italy are kindly acknowledged for financial support (PRID 2015).

PY - 2016/10/1

Y1 - 2016/10/1

N2 - 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.

AB - 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.

UR - http://www.rsc.org/suppdata/c6/nj/c6nj01854h/c6nj01854h1.pdf

U2 - 10.1039/C6NJ01854H

DO - 10.1039/C6NJ01854H

M3 - Article

SN - 1144-0546

VL - 40

SP - 8206

EP - 8210

JO - New Journal of Chemistry

JF - New Journal of Chemistry

IS - 10

ER -

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

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