Solvation and Dynamic Behavior of Cyclodextrins in Dimethyl Sulfoxide Solution

Abstract

High-frequency dielectric relaxation behavior up to 20 GHz was investigated for plain (alpha, beta, gamma) and (62 and 100%) methylated cyclodextrins, CDs, in dimethyl sulfoxide, DMSO, solution. Each hydrogen atom of OH groups of the CDs solvated a DMSO molecule for a residence time of 130-180 ps due to the hydrogen bond formation to an oxygen atom of DMSO, and a few DMSO molecules were included in cavities of the CDs for a while similar to the residence time. The overall rotational relaxation modes of solvated CDs were also observed depending on the effective sizes of the solvated CDs.

Composition-Dependent Dielectric Properties of DMF-Water Mixtures by Molecular Dynamics Simulations

“…Linear response theory relates the susceptibility tensor χ 0 ( k , ω ) to correlation functions of the Fourier components of the dipole density of the system $\overrightarrow{M}\left(\overrightarrow{k},\hspace{0.17em}t\right)$ The two components of $\overrightarrow{M}\left(\overrightarrow{k},\hspace{0.17em}t\right)$: $\overrightarrow{M}\left(\overrightarrow{k},\hspace{0.17em}t\right)\hspace{0.17em}=\hspace{0.17em}{\overrightarrow{M}}_L\left(\overrightarrow{k},\hspace{0.17em}t\right)\hspace{0.17em}+\hspace{0.17em}{\overrightarrow{M}}_T\left(\overrightarrow{k},\hspace{0.17em}t\right)$can be expressed as follows: ${\overrightarrow{M}}_L\left(\overrightarrow{k},\hspace{0.17em}t\right)\hspace{0.17em}=\hspace{0.17em}\sum _{j=1}^N\widehat{k}\widehat{k}·{\overrightarrow{\mu }}_j(t)\hspace{0.17em}\text{exp}\left(i\widehat{k}{\overrightarrow{r}}^{CM}(t)\right)$ ${\overrightarrow{M}}_T\left(\overrightarrow{k},\hspace{0.17em}t\right)\hspace{0.17em}=\hspace{0.17em}\sum _{j=1}^N\left(1\hspace{0.17em}-\hspace{0.17em}\widehat{k}\widehat{k}\right)·{\overrightarrow{\mu }}_j\left(t\right)\text{exp}\left(i\widehat{k}{\overrightarrow{r}}^{CM}\left(t\right)\right)$where ${\overrightarrow{\mu }}_j\left(t\right)$ is the dipole moment of the j th molecule and ${\overrightarrow{r}}^{CM}\left(t\right)$ the position of its center-of-mass. The components of the susceptibility tensor are given by [14–15]: ${\chi }_A^0\left(k,\hspace{0.17em}\omega \right)\hspace{0.17em}=\hspace{0.17em}\frac{\langle {|{}_{}}^{}}{}$…”

Connecting the solution chemistry of PbI2 and MAI: a cyclodextrin-based supramolecular approach to the formation of hybrid halide perovskites

“…1c ). The intercalation mechanism is evidently less efficient for α-CD, possibly because of its intrinsic lower solubility in the solvent mixture, 30 , 31 and this eventually leads to less soluble CD–PbI 2 complexes. 32 Importantly, the 2.5 M concentrated β-CD based solution exhibits a much higher shear viscosity with respect to the CD-free 1 M solution (Fig.…”

A green sorbent for CO2 capture: α-cyclodextrin-based carbonate in DMSO solution

“…Previous studies have reported on the solvation of CDs by DMSO through hydrogen bonding between the hydrogen atom of the OH moieties in CDs and the oxygen atom of DMSO, 12 which is a prerequisite for the supramolecular chemisorption of CO 2 . 7 However, preliminary NMR experiments on the chemistry of α-CD dissolved in DMSO- d 6 and CO 2 showed no reaction, which indicated the necessity of triggering the nucleophilicity of the α-CD hydroxyl groups using a strong base.…”