Fine-tuning polyoxometalate non-linear optical chromophores: a molecular electronic "Goldilocks" effect. Issue 31 (27th June 2018)

• Record Type: Journal Article
• Authors: Al-Yasari, Ahmed; Spence, Philip; El Moll, Hani; Van Steerteghem, Nick; Horton, Peter N.; Brunschwig, Bruce S.; Clays, Koen; Fielden, John
• Is Part Of: Dalton transactions. Volume 47:Issue 31(2018)
• Page Start: 10415
• Page End: 10419
• Publication Date: 2018-06-27
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c8dt01491d
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : An optimal combination of electron donor strength and electronic communication produces the best performing polyoxmetalate-based NLO chromophore to date. Abstract : A new aryl-imido polyoxometalate non-linear optical chromophore (POMophore) with a diphenylamino donor group attains the highest β zzz, 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 NMe2 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.