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Atomic orbitals are basic building blocks of the atomic orbital model (or electron cloud or wave mechanics model), a modern framework for visualizing submicroscopic behavior of electrons in matter. In this model, the electron cloud of an atom may be seen as being built up (in approximation) in an electron configuration that is a product of ...
A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular.
Electron atomic and molecular orbitals A Bohr diagram of lithium. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1]
The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.
The atomic orbitals used are typically those of hydrogen-like atoms since these are known analytically i.e. Slater-type orbitals but other choices are possible such as the Gaussian functions from standard basis sets or the pseudo-atomic orbitals from plane-wave pseudopotentials. Example of a molecular orbital diagram.
Atomic Spectroscopy, by W.C. Martin and W.L. Wiese in Atomic, Molecular, & Optical Physics Handbook, ed. by G.W.F. Drake (AIP, Woodbury, NY, 1996) Chapter 10, pp. 135–153. This website is also cited in the CRC Handbook as source of Section 1, subsection Electron Configuration of Neutral Atoms in the Ground State. 91 Pa : [Rn] 5f 2 (3 H 4) 6d 7s 2
The molecular orbital diagram for the final state describes the electronic nature of the molecule in an excited state. There are three main requirements for atomic orbital combinations to be suitable as approximate molecular orbitals.
Lewis structure of a water molecule. Lewis structures – also called Lewis dot formulas, Lewis dot structures, electron dot structures, or Lewis electron dot structures (LEDs) – are diagrams that show the bonding between atoms of a molecule, as well as the lone pairs of electrons that may exist in the molecule.