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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 ...
The symmetry operations in the molecular symmetry group are so-called 'feasible' permutations of identical nuclei, or inversion with respect to the center of mass (the parity operation), or a combination of the two, so that the group is sometimes called a "permutation-inversion group". [18] [25] Examples of molecular nonrigidity abound.
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.
The possible orbital symmetries are listed in the table below. For example, an orbital of B 1 symmetry (called a b 1 orbital with a small b since it is a one-electron function) is multiplied by -1 under the symmetry operations C 2 (rotation about the 2-fold rotation axis) and σ v '(yz) (reflection in the molecular
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.
In chemistry, sigma bonds (σ bonds) or sigma overlap are the strongest type of covalent chemical bond. [1] They are formed by head-on overlapping between atomic orbitals along the internuclear axis. Sigma bonding is most simply defined for diatomic molecules using the language and tools of symmetry groups. In this formal approach, a σ-bond is ...
For general diatomic and polyatomic molecular systems, the exchange energy is thus very elusive to calculate at large internuclear distances but is nonetheless needed for long-range interactions including studies related to magnetism and charge exchange effects. These are of particular importance in stellar and atmospheric physics.
Rotational energies are quantized. For a diatomic molecule like CO or HCl, or a linear polyatomic molecule like OCS in its ground vibrational state, the allowed rotational energies in the rigid rotor approximation are = = (+) = (+). J is the quantum number for total rotational angular momentum and takes all integer values starting at zero, i.e., =,,, …, = is the rotational constant, and is ...