New phases of hydrogen-bonded systems at extreme conditions

Manaa, M. Riad; Goldman, Nir; Fried, Laurence E.

doi:10.1080/01411590701473135

Cited by 10 publications

(6 citation statements)

References 37 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[21][22][23][24][25] Specifically, the oxygen atom on the carbonyl group of formic acid could form hydrogen bonds with another molecule of formic acid;, i.e., one molecule of formic acid could form two hydrogen bonds. [26,27] Moreover, a single water molecule could form four hydrogen bonds with four adjacent water molecules. The ion-dipole interactions between protonated and neutral water molecules could further strengthen the water-based hydrogen bonding network.…”

Section: Resultsmentioning

confidence: 99%

Multiple Stimuli‐Responsive Supramolecular Hydrogels Constructed by Decamethylcucurbit[5]uril‐para‐phenylenediamine Exclusion Complex

Guo

Yang

Cao

et al. 2021

Macromol. Rapid Commun.

View full text Add to dashboard Cite

The hydrogels composed of decamethylcucurbit[5]uril (Me 10 Q[5]) and para-phenylenediamine (p-PDA) are first reported herein. They are the first Q[5]-based supramolecular hydrogels, the formation of which is driven by portal exclusion between Me 10 Q[5] and p-PDA. The composition, structure, and properties of the Me 10 Q[5]/p-PDA-based hydrogels are investigated by various techniques. Since the 1D supramolecular chain forms via portal exclusion between Me 10 Q[5] and p-PDA is the key to the formation of the hydrogels, any competitive species, such as metal ions, organic molecules, and amino acids, which can affect the portal exclusion, can change the behavior of the Me 10 Q[5]/p-PDA-based hydrogels. Hence, the hydrogels can be used for various applications. Importantly, the results may provide a new research direction for the preparation of Q[n]-based hydrogels via portal exclusion of Q[n]s with guests.

show abstract

Section: Resultsmentioning

confidence: 99%

Multiple Stimuli‐Responsive Supramolecular Hydrogels Constructed by Decamethylcucurbit[5]uril‐para‐phenylenediamine Exclusion Complex

Guo

Yang

Cao

et al. 2021

Macromol. Rapid Commun.

View full text Add to dashboard Cite

show abstract

“…The polymerization is preceded by a symmetrization of the intermolecular and intramolecular H-bonds (16–21 GPa) and the underlying mechanisms elucidated by molecular dynamics calculations. 42…”

Section: Introductionmentioning

confidence: 99%

High-Pressure Far-Infrared Spectroscopic Studies of Hydrogen Bonding in Formic Acid

et al. 2013

View full text Add to dashboard Cite

Simple molecules such as HCOOH, or formic acid, are suggested to have played important roles in planetary physics due to their possibility for high pressure and temperature chemistry under impact conditions. In this study, we have investigated the effect of pressure (up to 50 GPa) on H-bonding and reactivity of formic acid using synchrotron far infrared spectroscopy. Based on the pressure-induced changes to H-bond ν(O-H···O) stretching and γ(O-H···O) deformations, we observe significant reorganization of H-bonding network beginning at ~20 GPa. This is in good agreement with reports of symmetrization of H-bonds reported at 16-21 GPa from X-ray diffraction and Raman spectroscopy studies as well as molecular dynamics simulations. With further increase in pressure, beyond 35 GPa, formic acid undergoes a polymerization process that is complete beyond 45 GPa. Remarkably, upon decompression, the polymeric phase reverts to the crystalline high-pressure phase at 8 GPa.

show abstract

“…In symmetric hydrogen bonding, the covalent X–H bond becomes identical to the intermolecular X···H bond, where X is an electronegative element or an electron acceptor group. Recent examples include the discovery of a polymeric phase in solid formic acid, , the emergence of symmetric hydrogen bonding in superionic water at 2000 K and 95 GPa, in HF at 900 K and 66 GPa, and in solid HBr at 100 K, and pressure up to 40 GPa . Some compounds exhibit both intramolecular X–H hydrogen bonds and intermolecular X–H hydrogen bonds.…”

Section: Introductionmentioning

confidence: 99%

Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure

Manaa

Fried

2011

J. Phys. Chem. C

View full text Add to dashboard Cite

We report density functional theoretical calculations of the equation of state (EOS) of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) under hydrostatic compression of up to 250 GPa. Our results show increasing bond equivalency between the intramolecular and intermolecular hydrogen bonds of the amino and nitro groups in the region 30 < P < 70 GPa, beyond which the difference between the two bond distances remains constant. This approximate bond equivalency is manifested by a rapid decrease of the intermolecular −NO···HN– distance along the b lattice direction from 2.6 Å at the zero pressure equilibrium geometry to 1.72 Å at 67 GPa and by a decrease of the intramolecular −NO···HN– bond from 1.65 to 1.57 Å for the same pressure region. The strengthening of intermolecular hydrogen bonding with increased pressure is in accordance with recent infrared spectroscopic measurements of decreasing activity of NH2 vibrational modes with increasing pressure up to 40 GPa.

show abstract

New phases of hydrogen-bonded systems at extreme conditions

Cited by 10 publications

References 37 publications

Multiple Stimuli‐Responsive Supramolecular Hydrogels Constructed by Decamethylcucurbit[5]uril‐para‐phenylenediamine Exclusion Complex

Multiple Stimuli‐Responsive Supramolecular Hydrogels Constructed by Decamethylcucurbit[5]uril‐para‐phenylenediamine Exclusion Complex

High-Pressure Far-Infrared Spectroscopic Studies of Hydrogen Bonding in Formic Acid

Nearly Equivalent Inter- and Intramolecular Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene at High Pressure

Contact Info

Product

Resources

About