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Published August 21, 2018 | Published + Supplemental Material
Journal Article Open

Fine-tuning polyoxometalate non-linear optical chromophores: a molecular electronic "Goldilocks" effect

Abstract

A new aryl-imido polyoxometalate non-linear optical chromophore (POMophore) with a diphenylamino donor group attains the highest βzzz, 0 value (196 × 10^(−30) esu by Hyper-Rayleigh Scattering, HRS), and best transparency/non-linearity trade off yet for such materials. Stark spectroscopic and DFT investigation of this compound, plus NMe_2 and carbazole analogues, show that its high performance results from a combination of strongly dipolar electronic transitions, and strong electronic communication across the π-system.

Additional Information

© 2018 The author(s). This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Received 16th April 2018 , Accepted 15th May 2018. First published on 27th June 2018. We thank the UK EPSRC National Mass Spectrometry Facility for MS. This work was supported by: the Iraqi Government (HCED scholarship to AAY), Royal Society of Chemistry, EPSRC (EP/M00452X/1) and Fonds voor Wetenschappelijk Onderzoek-Vlaanderen (FWO-V, PhD fellowship for NVS). BSB acknowledges support from the Beckman Institute of the California Institute of Technology. Stark data were collected and analysed at the Molecular Materials Resource Center of the Beckman Institute of the California Institute of Technology. In addition to the supplementary information and deposited cif files, data can be accessed by contacting the corresponding author.

Attached Files

Published - c8dt01491d.pdf

Supplemental Material - c8dt01491d1.pdf

Supplemental Material - c8dt01491d2.cif

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August 19, 2023
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