Molecular vibrationA 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 1013 Hz to approximately 1014 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm−1 and wavelengths of approximately 30 to 3 μm. For a diatomic molecule A−B, the vibrational frequency in s−1 is given by , where k is the force constant in dyne/cm or erg/cm2 and μ is the reduced mass given by .
Molecular geometryMolecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom. Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. The angles between bonds that an atom forms depend only weakly on the rest of molecule, i.
Molecular symmetryIn chemistry, molecular symmetry describes the symmetry present in molecules and the classification of these molecules according to their symmetry. Molecular symmetry is a fundamental concept in chemistry, as it can be used to predict or explain many of a molecule's chemical properties, such as whether or not it has a dipole moment, as well as its allowed spectroscopic transitions. To do this it is necessary to use group theory. This involves classifying the states of the molecule using the irreducible representations from the character table of the symmetry group of the molecule.
Point groupIn geometry, a point group is a mathematical group of symmetry operations (isometries in a Euclidean space) that have a fixed point in common. The coordinate origin of the Euclidean space is conventionally taken to be a fixed point, and every point group in dimension d is then a subgroup of the orthogonal group O(d). Point groups are used to describe the symmetries of geometric figures and physical objects such as molecules. Each point group can be represented as sets of orthogonal matrices M that transform point x into point y according to y = Mx.
Point groups in three dimensionsIn geometry, a point group in three dimensions is an isometry group in three dimensions that leaves the origin fixed, or correspondingly, an isometry group of a sphere. It is a subgroup of the orthogonal group O(3), the group of all isometries that leave the origin fixed, or correspondingly, the group of orthogonal matrices. O(3) itself is a subgroup of the Euclidean group E(3) of all isometries. Symmetry groups of geometric objects are isometry groups. Accordingly, analysis of isometry groups is analysis of possible symmetries.
Point groups in two dimensionsIn geometry, a two-dimensional point group or rosette group is a group of geometric symmetries (isometries) that keep at least one point fixed in a plane. Every such group is a subgroup of the orthogonal group O(2), including O(2) itself. Its elements are rotations and reflections, and every such group containing only rotations is a subgroup of the special orthogonal group SO(2), including SO(2) itself. That group is isomorphic to R/Z and the first unitary group, U(1), a group also known as the circle group.
Point reflectionIn geometry, a point reflection (also called a point inversion or central inversion) is an transformation of affine space in which every point is reflected across a specific fixed point. A point reflection is an involution: applying it twice is the identity transformation. It is equivalent to a homothetic transformation with scale factor −1. The point of inversion is also called homothetic center. An object that is invariant under a point reflection is said to possess point symmetry; if it is invariant under point reflection through its center, it is said to possess central symmetry or to be centrally symmetric.
Normal modeA normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies. These fixed frequencies of the normal modes of a system are known as its natural frequencies or resonant frequencies. A physical object, such as a building, bridge, or molecule, has a set of normal modes and their natural frequencies that depend on its structure, materials and boundary conditions.
Second-harmonic generationSecond-harmonic generation (SHG, also called frequency doubling) is a nonlinear optical process in which two photons with the same frequency interact with a nonlinear material, are "combined", and generate a new photon with twice the energy of the initial photons (equivalently, twice the frequency and half the wavelength), that conserves the coherence of the excitation. It is a special case of sum-frequency generation (2 photons), and more generally of harmonic generation.
Point groups in four dimensionsIn geometry, a point group in four dimensions is an isometry group in four dimensions that leaves the origin fixed, or correspondingly, an isometry group of a 3-sphere. 1889 Édouard Goursat, Sur les substitutions orthogonales et les divisions régulières de l'espace, Annales Scientifiques de l'École Normale Supérieure, Sér. 3, 6, (pp. 9–102, pp. 80–81 tetrahedra), Goursat tetrahedron 1951, A. C. Hurley, Finite rotation groups and crystal classes in four dimensions, Proceedings of the Cambridge Philosophical Society, vol.
