CHEM 214 Lecture Notes - Lecture 26: Atomic Orbital, Antibonding Molecular Orbital, Wave Function
26 Jun 2016
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Document Summary
No way to look at true wavefunction that calculate simultaneously nuclei and electron coordinates. Hence, bo approximation is divided into independent degrees of freedom => H describes electronic energy, which corresponds to electrons moving around: ke, repulsion e <=> e and attraction e <=> nuclei. When talking about total energy, the internuclear repulsion term is added to the electronic energy. +: we start to look at total molecular energy as a function of nuclear coordinates. The electronic energy decreases as r becomes smaller. The repulsion between nuclei increases as r decreases. Total energy: by combining two trends together, there is a particular nuclear distance where total energy is at minimum = bond length equilibrium. A molecule is an aggregate of atoms that possesses distinctive and distinguishing properties. Molecules we study in this course may or may not exist in regular lab conditions (h 2. Stability vs. reactivity: something can be both stable and reactive.
