Formation of Water Clusters in a Hydrophobic Solvent

Structure and Dynamics of Water Confined in Dimethyl Sulfoxide

“…[44,45] Obviously, the water molecules are strongly H-bonded to DMSO molecules and collisional interactions with neighboring solvent molecules cannot occur. The assignment of the symmetric and asymmetric stretch of a strongly H-bonded water monomer is supported by ab initio calculated frequencies for structures D, as shown in Figure 3.…”

“…It represents the overtone of the already discussed bending modes, d, for H 2 O and D 2 O, respectively. This water overtone is typically missing in apolar solvents [45] and only occurs in strongly confined geometries, as shown here. As reported before this overtone, 2d, couples with n s via Fermi resonance.…”

“…Usually the symmetric OH/OD has a significantly weaker absorption than the asymmetric OH/OD stretch vibration. [45] Instead, we find a n a /n s intensity ratio of only 1.2, suggesting that n b absorbs at the same frequency. Thus, besides the fully H-bonded water molecule in structure D, we find another species having one H-bonded and one dangling OH/OD bond (structure S, single donor).…”

A13C NMR and density functional theory study of critical behaviour of binary water/2,6-lutidine solution

“…To our knowledge, the application of 13 C NMR critical flow [12] is the only application of 13 C NMR to study critical phenomena. Although quantum chemistry calculations on these systems (water / derivatives of pyridine complexes and water clusters) are substantially advanced [13][14][15][16], detailed works on magnetic shielding properties of 13 C nuclei are practically not available. These data can be very useful for comparative purposes evaluating the hydrogen bonding and solvent effect contributions to the experimentally measured 13 C chemical shifts.…”

A novel self-assembled chain of water molecules in a metal-organic framework of Cu(II) with isophthalate

“…The exploration of structural and binding properties of ''discrete'' small water clusters have significantly advanced our knowledge to the first step of understanding the behaviors of bulk water, though they still remain ill-understood phenomena [4][5][6][7][8][9][10][11][12][13][14][15][16]. How the clusters link themselves to form a larger network, which is the bridge between clusters and bulk water, is still a challenging scientific endeavor [17][18][19][20].…”