Impact of water addition on fluctuation dynamics in viscous solvents with varied heterogeneity: A 2D IR spectroscopic study

Chowdhury, Tubai; Ghosh, Sucheta; Pathania, Akhil; Kore, Shivshankar; Mon, Akhil B; Chatterjee, Srijan; Deshmukh, Samadhan H.; Bagchi, Sayan

doi:10.1016/j.chphi.2023.100332

Cited by 3 publications

(2 citation statements)

References 53 publications

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“…9,11 In contrast, the slow timescales typically correspond to the overall evolution of solvent structure. 22,33 A comparative analysis of the slow time constants in ethylene glycol (ED) (~12 ps), propylene glycol (PD) (~32 ps), and butylene glycol (BD) (~56 ps) reveals a considerable retardation with an increase in diol chain length. Notably, these time constants decelerate with rising bulk viscosity in the solvent.…”

Section: D Ir Spectroscopymentioning

confidence: 99%

“…13,21 This complexity introduces a dynamic heterogeneity not present in molecular solvents like diols, offering a rich landscape for investigation. 10,11,21,22 The investigation into the solvent dynamics of diols and diol-based DESs encompasses a multi-faceted approach, combining experimental techniques and molecular dynamics (MD) simulations. Fourier-transform infrared (FTIR) and two-dimensional infrared (2D IR)spectroscopy provide detailed insights into the structural evolution and dynamics of these solvents.…”

Section: Introductionmentioning

confidence: 99%

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Viscosity effects on the dynamics of diols and diol‐based deep eutectic solvents

Chatterjee,

Deshmukh,

Chowdhury

et al. 2024

Photochem & Photobiology

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Diols, characterized by the presence of two hydroxyl groups, form extended hydrogen‐bonded networks. Increasing hydrocarbon chain length is known to elevate the viscosity of diols. Given the established influence of viscosity on solvent dynamics, it becomes imperative to comprehend the impact of viscosity on the fluctuation dynamics within diols and establish connections with hydrogen bond formation and breaking dynamics. In this study, we employ two‐dimensional infrared spectroscopy to investigate the viscosity dependence of the structural evolution dynamics in three diols with varying chain lengths. Complementing our experimental approach, molecular dynamics simulations are conducted to extract hydrogen bond lifetimes. Our findings reveal a linear correlation between bulk viscosity, solvent fluctuation timescales, and hydrogen bond lifetimes. Notably, the selected diols exhibit the capability to form deep eutectic solvents upon mixing with choline chloride at specific molar ratios. In contrast to molecular solvents like diols, deep eutectic solvents are characterized by the formation of heterogeneous nanodomains, comprising various intercomponent hydrogen‐bonded networks. Interestingly, our observations indicate that while the fluctuation dynamics decelerate with increasing bulk viscosity in diol‐based deep eutectic solvents, the relationship between viscosity and dynamics is not linear, in contrast to the observed linearity in diols. This nuanced understanding contributes to the broader comprehension of the interplay between viscosity and dynamics in both molecular and deep eutectic solvents.

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Section: D Ir Spectroscopymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Viscosity effects on the dynamics of diols and diol‐based deep eutectic solvents

Chatterjee,

Deshmukh,

Chowdhury

et al. 2024

Photochem & Photobiology

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Slowdown of solvent structural dynamics in aqueous DMF solutions

Pathania,

Bagchi

2024

Chemical Physics Impact

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Solvation Dynamics and Microheterogeneity in Deep Eutectic Solvents

Chatterjee,

Chowdhury,

Bagchi

2024

J. Phys. Chem. B

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Deep eutectic solvents have attracted considerable attention due to their unique properties and their potential to replace conventional solvents in diverse applications, such as catalysis, energy storage, and green chemistry. However, despite their broad use, the microscopic mechanisms governing solvation dynamics and the role of hydrogen bonding in deep eutectic solvents remain insufficiently understood. In this article, we present our contributions toward unravelling the micro heterogeneity within deep eutectic solvents by combining vibrational Stark spectroscopy and two-dimensional infrared spectroscopy with molecular dynamics simulations. Our findings demonstrate how the composition, constituents, and addition of water significantly influence the heterogeneous hydrogen bonding network and solvent dynamics within these systems. These insights provide valuable guidance for the design of next-generation solvents tailored to specific applications. By integrating experimental and computational approaches, this work sheds light on the intricate relationship between solvation dynamics and nanostructure in deep eutectic solvents, ultimately paving the way for innovative advances in solvent design.

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Impact of water addition on fluctuation dynamics in viscous solvents with varied heterogeneity: A 2D IR spectroscopic study

Cited by 3 publications

References 53 publications

Viscosity effects on the dynamics of diols and diol‐based deep eutectic solvents

Viscosity effects on the dynamics of diols and diol‐based deep eutectic solvents

Slowdown of solvent structural dynamics in aqueous DMF solutions

Solvation Dynamics and Microheterogeneity in Deep Eutectic Solvents

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