Solvation dynamics in a prototypical ionic liquid + dipolar aprotic liquid mixture: 1-butyl-3-methylimidazolium tetrafluoroborate + acetonitrile.
作者： Min Liang , Xin-Xing Zhang , Anne Kaintz , Nikolaus P. Ernsting , Mark Maroncelli
DOI: 10.1021/JP412086T
关键词:
摘要: Solvation energies, rotation times, and 100 fs to 20 ns solvation response functions of the solute coumarin 153 (C153) in mixtures 1-butyl-3-methylimidazolium tetrafluoroborate ([Im41][BF4]) + acetonitrile (CH3CN) at room temperature (20.5 °C) are reported. Available density, shear viscosity, electrical conductivity data 25 °C also collected parametrized, new on refractive indices component diffusion coefficients presented. free energies reorganization associated with S0 ↔ S1 transition C153 slightly (≤15%) larger neat [Im41][BF4] than CH3CN. No clear evidence for preferential these is found. Composition-dependent (D) Im41+ CH3CN as well times (τ) approximately related solution viscosity (η) D, τ ∝ ηp values p = −0.88, −0.77, +0.90, respectively. Spectral/solvation (Sν(t)) bimodal all compositions, consisting ...
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