Literature DB >> 25267857

Ions increase strength of hydrogen bond in water.

Tomaz Urbic1.   

Abstract

Knowledge of water-water potential is important for an accurate description of water. Potential between two molecules depends upon the distance, relative orientation of each molecule and local environment. In simulation, water-water hydrogen bonds are handled by point-charge water potentials and by polarizable models. These models produce good results for bulk water being parameterized for such environment. Water around surfaces and in channels, however is different from bulk water. Using quantum-mechanical methods, hydrogen bond strength was calculated in the vicinity of different monoions. A simple empirical relationship was discovered between the maximum hydrogen bond and the electric field produced by ion.

Entities:  

Year:  2014        PMID: 25267857      PMCID: PMC4175435          DOI: 10.1016/j.cplett.2014.06.054

Source DB:  PubMed          Journal:  Chem Phys Lett        ISSN: 0009-2614            Impact factor:   2.328


  9 in total

1.  Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew.

Authors:  Hans W Horn; William C Swope; Jed W Pitera; Jeffry D Madura; Thomas J Dick; Greg L Hura; Teresa Head-Gordon
Journal:  J Chem Phys       Date:  2004-05-22       Impact factor: 3.488

2.  Extended nature of the molecular dipole of hydrogen-bonded water.

Authors:  Hajime Torii
Journal:  J Phys Chem A       Date:  2013-02-20       Impact factor: 2.781

3.  Hydrogen Bonding and OH-Stretch Spectroscopy in Water: Hexamer (Cage), Liquid Surface, Liquid, and Ice.

Authors:  C J Tainter; Y Ni; L Shi; J L Skinner
Journal:  J Phys Chem Lett       Date:  2012-12-13       Impact factor: 6.475

4.  Strength of hydrogen bonds of water depends on local environment.

Authors:  Matej Huš; Tomaz Urbic
Journal:  J Chem Phys       Date:  2012-04-14       Impact factor: 3.488

5.  Water modeled as an intermediate element between carbon and silicon.

Authors:  Valeria Molinero; Emily B Moore
Journal:  J Phys Chem B       Date:  2009-04-02       Impact factor: 2.991

6.  Water revisited.

Authors:  F H Stillinger
Journal:  Science       Date:  1980-07-25       Impact factor: 47.728

7.  Hydrogen-bond cooperative effects in small cyclic water clusters as revealed by the interacting quantum atoms approach.

Authors:  José Manuel Guevara-Vela; Rodrigo Chávez-Calvillo; Marco García-Revilla; Jesús Hernández-Trujillo; Ove Christiansen; Evelio Francisco; Angel Martín Pendás; Tomás Rocha-Rinza
Journal:  Chemistry       Date:  2013-08-28       Impact factor: 5.236

8.  Structure, energy, vibrational spectrum, and Bader's analysis of π···H hydrogen bonds and H(-δ)···H(+δ) dihydrogen bonds.

Authors:  Boaz Galdino de Oliveira
Journal:  Phys Chem Chem Phys       Date:  2012-11-09       Impact factor: 3.676

9.  Quantum Calculations On Hydrogen Bonds In Certain Water Clusters Show Cooperative Effects.

Authors:  Vasiliy S Znamenskiy; Michael E Green
Journal:  J Chem Theory Comput       Date:  2007-01       Impact factor: 6.006

  9 in total
  2 in total

1.  Hydrogen bonding between hydrides of the upper-right part of the periodic table.

Authors:  Matjaž Simončič; Tomaž Urbič
Journal:  Chem Phys       Date:  2018-04-04       Impact factor: 2.348

2.  Time-resolved terahertz-Raman spectroscopy reveals that cations and anions distinctly modify intermolecular interactions of water.

Authors:  Vasileios Balos; Naveen Kumar Kaliannan; Hossam Elgabarty; Martin Wolf; Thomas D Kühne; Mohsen Sajadi
Journal:  Nat Chem       Date:  2022-06-30       Impact factor: 24.274

  2 in total

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