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首页> 外文期刊>Chemical Physics Letters >Fast fluctuations in deep eutectic melts: Multi-probe fluorescence measurements and all-atom molecular dynamics simulation study
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Fast fluctuations in deep eutectic melts: Multi-probe fluorescence measurements and all-atom molecular dynamics simulation study

机译:深共熔熔体的快速波动:多探针荧光测量和全原子分子动力学模拟研究

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摘要

Larger excitation wavelength dependence of fluorescence emission of chromophores with shorter lifetime suggests fast environmental fluctuations in (CH_3CONH_2 + LiBr/NO_3) deep eutectics. Stronger fractional viscosity dependence for rotation of a short-lifetime probe has been observed and ascribed to stronger sensitivity to these fast fluctuations. All-atom molecular dynamics simulations reveal stretched exponential relaxation for the wavenumber dependent incoherent and coherent scattering functions for acetamide with dominating sub-hundred picosecond and sub-nanosecond timescales. These simulated results provide support to the experimentally observed different fractional viscosity dependence of rotation rates for probes with different lifetimes, and stronger decoupling for short-lifetime probes in these melts.
机译:寿命较短的生色团的荧光发射的激发波长依赖性较大,表明(CH_3CONH_2 + LiBr / NO_3)深共晶中环境快速波动。观察到短寿命探针的旋转对分数粘度的依赖性更大,并且归因于对这些快速波动的敏感性更高。全原子分子动力学模拟显示了乙酰胺的波数依赖性非相干和相干散射函数的拉伸指数弛豫,其控制时间低于百皮秒和亚纳秒。这些模拟结果为实验观察到的不同寿命的探针对转速的不同分数粘度依赖性提供了支持,并为这些熔体中的短寿命探针提供了更强的去耦性。

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