Literature DB >> 30364625

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

Matjaž Simončič1, Tomaž Urbič1.   

Abstract

One of the most important electrostatic interactions between molecules is most definitely the hydrogen bond. Understanding the basis of this interaction may offer us the insight needed to understand its effect on the macroscopic scale. Hydrogen bonding is for example the reason for anomalous properties in compounds like water and naturally life as we know it. The strength of the bond depends on numerous factors, among them the electronegativity of participating atoms. In this work we calculated the strength of hydrogen bonds between hydrides of the upper-right part of the periodic table (C, N, O, F, P, S, Cl, As, Se, Br) using quantum-chemical methods. The aim was to determine what influences the strength of strong and weak hydrogen bonds in simple hydrides. Various relationships were checked. A relation between the strength of the bond and the electronegativity of the participating atoms was found. We also observed a correlation between the strength of hydrogen bonds and the inter-atomic distances, along with the dependence on the charge transfer on the atom of the donor. We also report characteristic geometries of different dimers.

Entities:  

Year:  2018        PMID: 30364625      PMCID: PMC6197068          DOI: 10.1016/j.chemphys.2018.03.036

Source DB:  PubMed          Journal:  Chem Phys        ISSN: 0301-0104            Impact factor:   2.348


  14 in total

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4.  Evaluation of one-dimensional potential energy surfaces for prediction of spectroscopic properties of hydrogen bonds in linear bonded complexes.

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Journal:  J Mol Model       Date:  2017-04-10       Impact factor: 1.810

5.  Ab initio calculations of thermochemical properties of methanol clusters.

Authors:  Muhammad Umer; Kai Leonhard
Journal:  J Phys Chem A       Date:  2013-02-08       Impact factor: 2.781

6.  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

7.  Probing the nature of hydrogen bonds in DNA base pairs.

Authors:  Yirong Mo
Journal:  J Mol Model       Date:  2006-05-06       Impact factor: 1.810

8.  Water revisited.

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

9.  Hydrogen and halogen bonds are ruled by the same mechanisms.

Authors:  Sławomir J Grabowski
Journal:  Phys Chem Chem Phys       Date:  2013-05-21       Impact factor: 3.676

10.  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

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  1 in total

1.  Hydrogen Bonding in Liquid Ammonia.

Authors:  Aravind Krishnamoorthy; Ken-Ichi Nomura; Nitish Baradwaj; Kohei Shimamura; Ruru Ma; Shogo Fukushima; Fuyuki Shimojo; Rajiv K Kalia; Aiichiro Nakano; Priya Vashishta
Journal:  J Phys Chem Lett       Date:  2022-07-28       Impact factor: 6.888

  1 in total

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