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The molecular term symbol is a shorthand expression of the angular momenta that characterize the electronic quantum states of a diatomic molecule, which are also eigenstates of the electronic molecular Hamiltonian. It is also convenient, and common, to represent a diatomic molecule as two-point masses connected by a massless spring.
A diatomic molecular orbital diagram is used to understand the bonding of a diatomic molecule. MO diagrams can be used to deduce magnetic properties of a molecule and how they change with ionization. They also give insight to the bond order of the molecule, how many bonds are shared between the two atoms. [12]
Molecular symmetry in physics and chemistry describes the symmetry present in molecules and the classification of molecules according to their symmetry. Molecular symmetry is a fundamental concept in the application of Quantum Mechanics in physics and chemistry, for example it can be used to predict or explain many of a molecule's properties, such as its dipole moment and its allowed ...
Molecular orbital theory was seen as a competitor to valence bond theory in the 1930s, before it was realized that the two methods are closely related and that when extended they become equivalent. Molecular orbital theory is used to interpret ultraviolet–visible spectroscopy (UV–VIS). Changes to the electronic structure of molecules can be ...
In 1928 Eugene Wigner and E.E. Witmer proposed rules to determine the possible term symbols for diatomic molecular states formed by the combination of a pair of atomic states with given atomic term symbols. [4] [5] [6] For example, two like atoms in identical 3 S states can form a diatomic molecule in 1 Σ g +, 3 Σ u +, or 5 Σ g + states.
Molecular orbitals are said to be degenerate if they have the same energy. For example, in the homonuclear diatomic molecules of the first ten elements, the molecular orbitals derived from the p x and the p y atomic orbitals result in two degenerate bonding orbitals (of low energy) and two degenerate antibonding orbitals (of high energy). [13]
Dilithium, Li 2, is a strongly electrophilic, diatomic molecule comprising two lithium atoms covalently bonded together. Li 2 has been observed in the gas phase. It has a bond order of 1, an internuclear separation of 267.3 pm and a bond energy of 102 kJ/mol or 1.06 eV in each bond. [1] The electron configuration of Li 2 may be written as σ 2.
The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.