Literature DB >> 17705589

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

Qadir K Timerghazin1, Gilles H Peslherbe.   

Abstract

Two or more polar molecules can trap an excess electron either in a dipole-bound fashion where it is located outside of the cluster (dipole-bound electron) or inside the cluster (solvated electron). The topology of the electron density in dipole-bound and solvated-electron clusters has been examined for the paradigm (HF)3- cluster. As spatial confinement of the excess electron increases, a non-nuclear maximum (or attractor) of the electron density eventually forms, which suggests that the solvated electron can be described as a topological atom with its own set of physicochemical properties.

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Year:  2007        PMID: 17705589     DOI: 10.1063/1.2747250

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


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

Authors:  Timothy Clark
Journal:  J Mol Model       Date:  2017-09-27       Impact factor: 1.810

3.  Density functional studies on photophysical properties and chemical reactivities of the triarylboranes: effect of the constraint of planarity.

Authors:  Jun-Ling Jin; Hai-Bin Li; Tian Lu; Yu-Ai Duan; Yun Geng; Yong Wu; Zhong-Min Su
Journal:  J Mol Model       Date:  2013-05-25       Impact factor: 1.810

  3 in total

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