Photo-and solvatochromic properties of nitrobenzospiropyran in ionic liquids containing the [NTf2]- anion

The photo-, thermo- and solvatochromic properties of 2,3-dihydro-1',3',3'-trimethyl-6-nitrospiro-[1-benzopyran-2,2'-1H-indole] (BSP-NO(2)) were studied in ILs containing the anion [NTf(2)](-) by UV-Vis absorption spectroscopy, ab initio molecular orbital theory and density functi...

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Published in:Physical chemistry chemical physics : PCCP 2008-01, Vol.10 (38), p.5919-5924
Main Authors: BYRNE, Robert, FRASER, Kevin J, IZGORODINA, Ekaterina, MACFARLANE, Douglas R, FORSYTH, Maria, DIAMOND, Dermot
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General and physical chemistry
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description The photo-, thermo- and solvatochromic properties of 2,3-dihydro-1',3',3'-trimethyl-6-nitrospiro-[1-benzopyran-2,2'-1H-indole] (BSP-NO(2)) were studied in ILs containing the anion [NTf(2)](-) by UV-Vis absorption spectroscopy, ab initio molecular orbital theory and density functional theory (DFT) calculations. It was found that the kinetics and thermodynamics of the BSP-NO(2) MC (merocyanine) equilibrium was sensitive to the nature of the cation. It was also observed that the imidazolium cation can form a through-space orbital interaction with the MC isomer, rather than a simple electrostatic interaction, thus preventing the MC conversion back to the BSP-NO(2) isomer. The BSP-NO(2) MC equilibrium thus serves as a model system for studying modes of interaction of the cations in ionic liquids.
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General and physical chemistry
title Photo-and solvatochromic properties of nitrobenzospiropyran in ionic liquids containing the [NTf2]- anion
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