Literature DB >> 28956190

Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarification.

Timothy Clark1.   

Abstract

The concepts of polarization (induction), charge transfer and covalent bonding contributions are discussed in terms of weak interactions. They are shown to be different incarnations of the same phenomenon, so that using polarization to describe them is most consistent as it is the only real, measurable and uniquely defined quantity of the three. Dispersion is discussed as a form of polarization within the Feynman description. Model calculations are described. Graphical abstract The electron density of a hydride ion (nucleus white) polarized by a single positive point charge (brown).

Entities:  

Keywords:  Bonding theory; Charge transfer; Halogen bonds; Hydrogen bonds; Polarization

Year:  2017        PMID: 28956190     DOI: 10.1007/s00894-017-3473-y

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  14 in total

1.  Critical Analysis of Non-Nuclear Electron-Density Maxima and the Maximum Entropy Method.

Authors: 
Journal:  Phys Rev Lett       Date:  1996-08-26       Impact factor: 9.161

2.  Polarizability, ionization potential, and softness of water and methanol clusters: an interrelation.

Authors:  Kartick Gupta; Tapan K Ghanty; Swapan K Ghosh
Journal:  J Phys Chem A       Date:  2012-06-12       Impact factor: 2.781

3.  Directional Noncovalent Interactions: Repulsion and Dispersion.

Authors:  Ahmed El Kerdawy; Jane S Murray; Peter Politzer; Patrick Bleiziffer; Andreas Heßelmann; Andreas Görling; Timothy Clark
Journal:  J Chem Theory Comput       Date:  2013-04-24       Impact factor: 6.006

4.  Charge Transfer from Regularized Symmetry-Adapted Perturbation Theory.

Authors:  Alston J Misquitta
Journal:  J Chem Theory Comput       Date:  2013-11-07       Impact factor: 6.006

5.  Non-nuclear attractor of electron density as a manifestation of the solvated electron.

Authors:  Qadir K Timerghazin; Gilles H Peslherbe
Journal:  J Chem Phys       Date:  2007-08-14       Impact factor: 3.488

6.  Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals.

Authors:  Rustam Z Khaliullin; Alexis T Bell; Martin Head-Gordon
Journal:  J Chem Phys       Date:  2008-05-14       Impact factor: 3.488

7.  σ-Hole bonding: a physical interpretation.

Authors:  Peter Politzer; Jane S Murray; Timothy Clark
Journal:  Top Curr Chem       Date:  2015

8.  Mathematical modeling and physical reality in noncovalent interactions.

Authors:  Peter Politzer; Jane S Murray; Timothy Clark
Journal:  J Mol Model       Date:  2015-02-20       Impact factor: 1.810

9.  Natural Bond Orbitals and the Nature of the Hydrogen Bond.

Authors:  Anthony J Stone
Journal:  J Phys Chem A       Date:  2017-02-10       Impact factor: 2.781

10.  Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005.

Authors:  Timothy Clark; Matthias Hennemann; Jane S Murray; Peter Politzer
Journal:  J Mol Model       Date:  2006-08-23       Impact factor: 1.810

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  8 in total

1.  On bond-critical points in QTAIM and weak interactions.

Authors:  Christian R Wick; Timothy Clark
Journal:  J Mol Model       Date:  2018-05-31       Impact factor: 1.810

2.  A Feynman dispersion correction: a proof of principle for MNDO.

Authors:  Maximilian Kriebel; Konstantin Weber; Timothy Clark
Journal:  J Mol Model       Date:  2018-11-15       Impact factor: 1.810

3.  Dispersion and polar flattening: noble gas-halogen complexes.

Authors:  Anthony C Legon; Dmitry Sharapa; Timothy Clark
Journal:  J Mol Model       Date:  2018-06-22       Impact factor: 1.810

4.  Modeling molecular boiling points using computed interaction energies.

Authors:  Stephen C Peterangelo; Paul G Seybold
Journal:  J Mol Model       Date:  2017-12-20       Impact factor: 1.810

5.  π covalency in the halogen bond.

Authors:  Cameron W Kellett; Pierre Kennepohl; Curtis P Berlinguette
Journal:  Nat Commun       Date:  2020-07-03       Impact factor: 14.919

6.  Uncovering the Networks of Topological Neighborhoods in β-Strand and Amyloid β-Sheet Structures.

Authors:  Luhan Zhai; Yuko Otani; Tomohiko Ohwada
Journal:  Sci Rep       Date:  2019-07-24       Impact factor: 4.379

7.  A unifying mechanism for cation effect modulating C1 and C2 productions from CO2 electroreduction.

Authors:  Seung-Jae Shin; Hansol Choi; Stefan Ringe; Da Hye Won; Hyung-Suk Oh; Dong Hyun Kim; Taemin Lee; Dae-Hyun Nam; Hyungjun Kim; Chang Hyuck Choi
Journal:  Nat Commun       Date:  2022-09-19       Impact factor: 17.694

8.  Models of necessity.

Authors:  Timothy Clark; Martin G Hicks
Journal:  Beilstein J Org Chem       Date:  2020-07-13       Impact factor: 2.883

  8 in total

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