1998
DOI: 10.1016/s0009-2614(98)01025-2
|View full text |Cite
|
Sign up to set email alerts
|

Molecular association between water and dimethyl sulfoxide in solution: the librational dynamics of water

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
2

Citation Types

10
47
1

Year Published

2002
2002
2015
2015

Publication Types

Select...
7

Relationship

1
6

Authors

Journals

citations
Cited by 50 publications
(58 citation statements)
references
References 18 publications
10
47
1
Order By: Relevance
“…21−24 Earlier simulation studies have proved the existence of 1DMSO:2H 2 O in equilibrium with 2DMSO:1H 2 O complex in aqueous DMSO solution. 26,47 Tanaka et al performed molecular dynamics simulation in aqueous−TBA solution. Their study indicates that the aggregation of TBA molecules from very dilute to 8 mol % of TBA concentration was governed by the hydrophobic contact of tert-butyl groups, whereas, with increasing TBA concentration (at 17 mol % of TBA), the association occurs through hydrogen bonding interactions between TBA molecules.…”
Section: Introductionmentioning
confidence: 99%
“…21−24 Earlier simulation studies have proved the existence of 1DMSO:2H 2 O in equilibrium with 2DMSO:1H 2 O complex in aqueous DMSO solution. 26,47 Tanaka et al performed molecular dynamics simulation in aqueous−TBA solution. Their study indicates that the aggregation of TBA molecules from very dilute to 8 mol % of TBA concentration was governed by the hydrophobic contact of tert-butyl groups, whereas, with increasing TBA concentration (at 17 mol % of TBA), the association occurs through hydrogen bonding interactions between TBA molecules.…”
Section: Introductionmentioning
confidence: 99%
“…This "bound" water molecule, being situated in a DMSO-rich microenvironment, is expected to present very different short-time, librational dynamics than that found in pure water. Indeed, our simulations [26,28] of the farinfrared absorption coefficient for the pure liquids and for mixtures of different compositions predicts an "splitting" of water's librational band (600-800 cm −1 ) for DMSO-rich mixtures, as shown in Fig. 3.…”
Section: Water In Dmsomentioning
confidence: 71%
“…These changes and their molecular origin have been the subject of several MD simulation studies [25]. Analyses of the structure and hydrogen (H)-bond distributions reveal different types of molecular associations, with the prevalence of 1DMSO:2water H-bond aggregates of nearly tetrahedral ordering for water-rich mixtures and 2DMSO:1water linkages for DMSO-rich solutions [26]. The translational and reorientational dynamics of these mixtures investigated through MD simulations are in good agreement with experimental NMR data [27], showing minima for the self-diffusion coefficients and slowest reorientational dynamics for mixtures with composition near 33% DMSO.…”
Section: Water In Dmsomentioning
confidence: 99%
See 1 more Smart Citation
“…1,2 From the past in ves ti gations, sev eral pro pos als have evolved to as sess the struc tural al ter ations of wa ter caused by the sol utes in terms of struc ture mak ing and break ing prop er ties. 1,[3][4][5] The in ter ac tion of wa ter with the hy dro pho bic parts of mol e cules is also dis cussed in the lit er a ture, 2,[5][6][7][8] but in most cases in ter pre ta tion has been com pli cated by the in her ent weak ness of hy dro pho bic hydration. Wa ter and dimethyl sulfoxide (DMSO) in ter act with each other and with other sol utes through hy dro gen bonding, [3][4][5][6][7][8][9][10][11] but de tails of such in ter ac tions are not well char ac terized.…”
Section: Introductionmentioning
confidence: 99%