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<html><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><title class="next-head">「02-bonding」</title><link rel="shortcut icon" type="image/ico" href="http://127.0.0.1:8830/_static/favicon.ico" class="next-head"><link rel="stylesheet" href="./bonding_files/page.css" class="next-head"><link rel="stylesheet" href="./bonding_files/markdown.css" class="next-head"><link rel="stylesheet" href="./bonding_files/highlight.css" class="next-head"><link rel="stylesheet" href="./bonding_files/katex@0.5.1.css" class="next-head"><script type="text/javascript" src="./bonding_files/tweenlite.min.js" class="next-head"></script><script type="text/javascript" src="./bonding_files/mermaid.min.js" class="next-head"></script><link rel="preload" href="./bonding_files/index.js" as="script"><link rel="preload" href="./bonding_files/_app.js" as="script"><link rel="preload" href="./bonding_files/_error.js" as="script"><link rel="preload" href="./bonding_files/webpack-42652fa8b82c329c0559.js" as="script"><link rel="preload" href="./bonding_files/commons.1c1b5ebd55cbcad2529a.js" as="script"><link rel="preload" href="./bonding_files/main-94dad8183cac85e3af97.js" as="script"><style type="text/css">/* Chart.js */ | |
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<p class="source-line" data-source-line="2">Solids can form through different kinds of bonding:</p> | |
<ol> | |
<li class="source-line" data-source-line="4"><strong>Van-der-Waals</strong></li> | |
</ol> | |
<ul> | |
<li class="source-line" data-source-line="6">bonding energy between 10 and 100 meV (not stable at room temperature)</li> | |
<li class="source-line" data-source-line="7">most dominant only in noble gas crystals</li> | |
<li class="source-line" data-source-line="8">close-packaging of equal spheres, electrons are bound</li> | |
<li class="source-line" data-source-line="9">current fluctuations create a temporal dipole which induce a dipole in another atom</li> | |
</ul> | |
<ol start="2"> | |
<li class="source-line" data-source-line="11"><strong>Hydrogenic</strong></li> | |
</ol> | |
<ul> | |
<li class="source-line" data-source-line="13">bonding energy around 100 meV</li> | |
<li class="source-line" data-source-line="14">occurs at atoms with high electronegativity (hydrogen bonds)</li> | |
<li class="source-line" data-source-line="15">very important in biological processes</li> | |
<li class="source-line" data-source-line="16">of ionic character (electron removed from hydrogen atom)</li> | |
</ul> | |
<ol start="3"> | |
<li class="source-line" data-source-line="18"><strong>Metallic</strong></li> | |
</ol> | |
<ul> | |
<li class="source-line" data-source-line="20">bonding energy between 1 and 5 eV</li> | |
<li class="source-line" data-source-line="21">electrons can move freely</li> | |
<li class="source-line" data-source-line="22">relative large distance between nuclei</li> | |
<li class="source-line" data-source-line="23">classical not stable but quantum mechanical because <em>kinetic energy of electrons is lowered??</em></li> | |
</ul> | |
<ol start="4"> | |
<li class="source-line" data-source-line="25"><strong>Ionic</strong></li> | |
</ol> | |
<ul> | |
<li class="source-line" data-source-line="27">bonding energy between 5 and 10 eV</li> | |
<li class="source-line" data-source-line="28">complete ionisation of one atom (electron transfer)</li> | |
<li class="source-line" data-source-line="29">electrostatic force between cations and anions</li> | |
<li class="source-line" data-source-line="30">close-packaging of equal spheres, electrons are bound</li> | |
</ul> | |
<ol start="5"> | |
<li class="source-line" data-source-line="32"><strong>Covalent</strong></li> | |
</ol> | |
<ul> | |
<li class="source-line" data-source-line="34">electron pair bonding / overlap of neighboring orbitals</li> | |
<li class="source-line" data-source-line="35"><em>Linear Combination of Atomic Orbitals</em></li> | |
<li class="source-line" data-source-line="36">sp2 / sp3 hybridisation</li> | |
</ul> | |
<h3 class="source-line" data-source-line="38">Models</h3> | |
<ol> | |
<li class="source-line" data-source-line="40"><strong>Van-der-Waals</strong></li> | |
</ol> | |
<p class="source-line" data-source-line="42">The <strong>Lennard-Jones</strong> potential, $$V®=A/r^{12} - B/r^6$$, models the | |
attractive dipole interactions of the <strong>Van-der-Waals</strong> forces between two | |
neutral atoms as well as the repulsive force due to the Pauli exclusion | |
principle.</p> | |
<ol start="2"> | |
<li class="source-line" data-source-line="47"><strong>Hard-Sphere</strong></li> | |
</ol> | |
<p class="source-line" data-source-line="49">Sometimes the repulsive force due to the Pauli exclusion principle is also | |
modeled by $$V®=Ae^{r/\rho}.$$</p> | |
<ol start="3"> | |
<li class="source-line" data-source-line="52"><strong>Ionic</strong></li> | |
</ol> | |
<h1 class="source-line" data-source-line="54">In order to model the ionic bonding energy one has to account for the | |
contribution of neighboring ions as the <strong>Coulomb</strong> potential is long range. | |
The potential energy can be written as $$V®</h1> | |
<p class="source-line" data-source-line="58">\sum_{i\neq j} | |
\left(\frac{A}{r^{12}}\pm\frac{e_0^2}{4\pi\epsilon_0r_{ij}}\right) | |
\approx | |
\frac{A}{R^{12}}-\frac{e_0^2}{4\pi\epsilon_0}\sum_{i\neq j}\frac{\pm1}{r_{ij}} | |
,</p> | |
wherein the first term is again due to the short-range Pauli exclusion | |
principle. | |
### Missing | |
* energy diagrams of the potentials | |
* sketch of how the atoms arange | |
### Keywords | |
* cohesive energy | |
### Questions | |
> Why do lattice structures form (at room temperature)? | |
> What is the phycics behind Van-der-Waals interactions? | |
One the one hand side an atom can induce a dipole on another atom which leads | |
to an attractive $r^{-6}$ potential. One the other hand the Pauli exclusion | |
principle acts as a repulsive force with $r^{-12}$ dependency. | |
> What is the adiabatic / Born-Oppenheimer approximation? | |
In the adiabatic approximation one assumes nuclei and electron dynamics occur | |
at different time scales. Nuclei dynamics occur at slow time scales while | |
electron dynamics occur almost instantly. *This allows one to postulate a | |
static lattice.* | |
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