Electrostatic Potential and a Simple Extended Electric Dipole Model of Hydrogen Fluoride as Probes of Non-Bonding Electron Pairs in the Cyclic Ethers 2,5-Dihydrofuran, Oxetane and Oxirane

Electrostatic Potential and a Simple Extended Electric Dipole Model of Hydrogen Fluoride as Probes of Non-Bonding Electron Pairs in the Cyclic Ethers 2,5-Dihydrofuran, Oxetane and Oxirane

The electrostatic potential near to the oxygen atom in each of the cyclic ethers 2,5-dihydrofuran, oxetane and oxirane has been calculated by using a distributed multipole analysis (DMA) of each molecule. The electrostatic potential energy V(φ) of a unit non-perturbing positive charge was calculated...

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Bibliographic Details
Main Authors: J. Grant Hill, Anthony C. Legon
Format: Article
Language:English
Published: MDPI AG 2017-08-01
Series:Crystals
Subjects:
hydrogen bond
noncovalent interactions
electrostatic potentials
distributed multipole analysis
nonbonding-pairs
Online Access:https://www.mdpi.com/2073-4352/7/9/261

Internet

https://www.mdpi.com/2073-4352/7/9/261

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