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A molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged. The typical vibrational frequencies range from less than 10 13 Hz to approximately 10 14 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm −1 and wavelengths of approximately 30 to 3 μm.
A diatomic molecule has one molecular vibration mode: the two atoms oscillate back and forth with the chemical bond between them acting as a spring. A molecule with N atoms has more complicated modes of molecular vibration, with 3N − 5 vibrational modes for a linear molecule and 3N − 6 modes for a nonlinear molecule. [4]
Furthermore, a vibration will be Raman active if there is a change in the polarizability of the molecule and if it has the same symmetry as one of the direct products of the x, y, z coordinates. To determine which modes are Raman active, the irreducible representation corresponding to xy, xz, yz, x 2 , y 2 , and z 2 are checked with the ...
Here, k ‡ is directly proportional to the frequency of the vibrational mode responsible for converting the activated complex to the product; the frequency of this vibrational mode is . Every vibration does not necessarily lead to the formation of product, so a proportionality constant κ {\displaystyle \kappa } , referred to as the ...
It states that no normal modes can be both Infrared and Raman active in a molecule that possesses a center of symmetry. This is a powerful application of group theory to vibrational spectroscopy, and allows one to easily detect the presence of this symmetry element by comparison of the IR and Raman spectra generated by the same molecule. [1]
Simulated vibration-rotation line spectrum of carbon monoxide, 12 C 16 O. The P-branch is to the left of the gap near 2140 cm −1, the R-branch on the right. [note 2] Schematic ro-vibrational energy level diagram for a linear molecule. Diatomic molecules with the general formula AB have one normal mode of vibration involving stretching of the ...
The methods of storing this energy are dictated by the degrees of freedom of the molecule itself (energy modes). Thermal (kinetic) energy added to a gas or liquid (an endothermic process) produces translational, rotational, and vibrational motion. In contrast, a solid can only increase its internal energy by exciting additional vibrational ...
These can accurately describe the properties of dense gases, and gases with internal degrees of freedom, because they include the volume of the particles as well as contributions from intermolecular and intramolecular forces as well as quantized molecular rotations, quantum rotational-vibrational symmetry effects, and electronic excitation. [31]