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Point Group Character Tables
This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well as more extensive lists of them, can be found in the references. Notation For each non-linear group, the tables give the most standard notation of the finite group isomorphic to the point group, followed by the order of the group (number of invariant symmetry operations). The finite group notation used is: Zn: cyclic group of order ''n'', Dn: dihedral group isomorphic to the symmetry group of an ''n''–sided regular polygon, Sn: symmetric group on ''n'' letters, and An: alternating group on ''n'' letters. The character tables then follow for all groups. The rows of the character tables correspond to the irreducible representatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Character Table
In group theory, a branch of abstract algebra, a character table is a two-dimensional table whose rows correspond to irreducible representations, and whose columns correspond to conjugacy classes of group elements. The entries consist of characters, the traces of the matrices representing group elements of the column's class in the given row's group representation. In chemistry, crystallography, and spectroscopy, character tables of point groups are used to classify ''e.g.'' molecular vibrations according to their symmetry, and to predict whether a transition between two states is forbidden for symmetry reasons. Many university level textbooks on physical chemistry, quantum chemistry, spectroscopy and inorganic chemistry devote a chapter to the use of symmetry group character tables. Definition and example The irreducible complex characters of a finite group form a character table which encodes much useful information about the group ''G'' in a compact form. Each row is labelled b ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Complex Conjugate
In mathematics, the complex conjugate of a complex number is the number with an equal real part and an imaginary part equal in magnitude but opposite in sign. That is, (if a and b are real, then) the complex conjugate of a + bi is equal to a - bi. The complex conjugate of z is often denoted as \overline or z^*. In polar form, the conjugate of r e^ is r e^. This can be shown using Euler's formula. The product of a complex number and its conjugate is a real number: a^2 + b^2 (or r^2 in polar coordinates). If a root of a univariate polynomial with real coefficients is complex, then its complex conjugate is also a root. Notation The complex conjugate of a complex number z is written as \overline z or z^*. The first notation, a vinculum, avoids confusion with the notation for the conjugate transpose of a matrix, which can be thought of as a generalization of the complex conjugate. The second is preferred in physics, where dagger (†) is used for the conjugate tra ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cubic Harmonic
In fields like computational chemistry and solid-state and condensed matter physics the so-called atomic orbitals, or spin-orbitals, as they appear in textbooks on quantum physics, are often partially replaced by cubic harmonics for a number of reasons. These harmonics are usually named tesseral harmonics in the field of condensed matter physics in which the name kubic harmonics rather refers to the irreducible representations in the cubic point-group. Introduction The 2l+1 hydrogen-like atomic orbitals with principal quantum number n and angular momentum quantum number l are often expressed as :\psi_(\mathbf) = R_(r) Y_l^m(\theta,\varphi) in which the R_(r) is the radial part of the wave function and Y_l^m(\theta,\varphi) is the angular dependent part. The Y_l^m(\theta,\varphi) are the spherical harmonics, which are solutions of the angular momentum operator. The spherical harmonics are representations of functions of the full rotation group SO(3) with rotational symme ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
List Of Small Groups
The following list in mathematics contains the finite groups of small order up to group isomorphism. Counts For ''n'' = 1, 2, … the number of nonisomorphic groups of order ''n'' is : 1, 1, 1, 2, 1, 2, 1, 5, 2, 2, 1, 5, 1, 2, 1, 14, 1, 5, 1, 5, ... For labeled groups, see . Glossary Each group is named by their Small Groups library as G''o''''i'', where ''o'' is the order of the group, and ''i'' is the index of the group within that order. Common group names: * Z''n'': the cyclic group of order ''n'' (the notation C''n'' is also used; it is isomorphic to the additive group of Z/''n''Z). * Dih''n'': the dihedral group of order 2''n'' (often the notation D''n'' or D2''n'' is used ) ** K4: the Klein four-group of order 4, same as and Dih2. * S''n'': the symmetric group of degree ''n'', containing the ''n''! permutations of ''n'' elements. * A''n'': the alternating group of degree ''n'', containing the even permutations of ''n'' elements, of order 1 for , and order ''n''!/ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Vibration
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 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 \nu = \frac \sqrt , where k is the force constant in dyne/cm or erg/cm2 and μ is the reduced mass given by \frac = \frac+\frac. The vibrational wavenumber in cm−1 is \tilde \;= \frac \sqrt, where c is the speed of light in cm/s. Vibrations of polyatomic molecules are described in terms of normal modes, which are independent of each other, but each normal mode involves simultaneous vibrations of different parts of the molecule. In general, a non-linear molecule with ''N'' atoms has 3''N'' – 6 normal modes of vibration, but a ''linear'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Raman Spectroscopy
Raman spectroscopy () (named after Indian physicist C. V. Raman) is a spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectroscopy is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. Raman spectroscopy relies upon inelastic scattering of photons, known as Raman scattering. A source of monochromatic light, usually from a laser in the visible, near infrared, or near ultraviolet range is used, although X-rays can also be used. The laser light interacts with molecular vibrations, phonons or other excitations in the system, resulting in the energy of the laser photons being shifted up or down. The shift in energy gives information about the vibrational modes in the system. Infrared spectroscopy typically yields similar yet complementary information. Typically, a sample is illuminated with a laser beam. Electr ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Linear Combination Of Atomic Orbitals
A linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. In quantum mechanics, electron configurations of atoms are described as wavefunctions. In a mathematical sense, these wave functions are the basis set of functions, the basis functions, which describe the electrons of a given atom. In chemical reactions, orbital wavefunctions are modified, i.e. the electron cloud shape is changed, according to the type of atoms participating in the chemical bond. It was introduced in 1929 by Sir John Lennard-Jones with the description of bonding in the diatomic molecules of the first main row of the periodic table, but had been used earlier by Linus Pauling for H2+. Mathematical description An initial assumption is that the number of molecular orbitals is equal to the number of atomic orbitals included in the linear expansion. In a sense, ''n'' atomic orbitals combine to form ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Octahedral Symmetry
A regular octahedron has 24 rotational (or orientation-preserving) symmetries, and 48 symmetries altogether. These include transformations that combine a reflection and a rotation. A cube has the same set of symmetries, since it is the polyhedron that is dual polyhedron, dual to an octahedron. The group of orientation-preserving symmetries is ''S''4, the symmetric group or the group of permutations of four objects, since there is exactly one such symmetry for each permutation of the four diagonals of the cube. Details Chiral and full (or achiral) octahedral symmetry are the Point groups in three dimensions, discrete point symmetries (or equivalently, List of spherical symmetry groups, symmetries on the sphere) with the largest symmetry groups compatible with translational symmetry. They are among the Crystal system#Overview of point groups by crystal system, crystallographic point groups of the cubic crystal system. As the hyperoctahedral group of dimension 3 the full oct ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tetrahedral Group
150px, A regular tetrahedron, an example of a solid with full tetrahedral symmetry A regular tetrahedron has 12 rotational (or orientation-preserving) symmetries, and a symmetry order of 24 including transformations that combine a reflection and a rotation. The group of all (not necessarily orientation preserving) symmetries is isomorphic to the group S4, the symmetric group of permutations of four objects, since there is exactly one such symmetry for each permutation of the vertices of the tetrahedron. The set of orientation-preserving symmetries forms a group referred to as the alternating subgroup A4 of S4. Details Chiral and full (or achiral tetrahedral symmetry and pyritohedral symmetry) are discrete point symmetries (or equivalently, symmetries on the sphere). They are among the crystallographic point groups of the cubic crystal system. Seen in stereographic projection the edges of the tetrakis hexahedron form 6 circles (or centrally radial lines) in the plane. Ea ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Polyhedral Group
In geometry, the polyhedral group is any of the symmetry groups of the Platonic solids. Groups There are three polyhedral groups: *The tetrahedral group of order 12, rotational symmetry group of the regular tetrahedron. It is isomorphic to ''A''4. ** The conjugacy classes of ''T'' are: ***identity ***4 × rotation by 120°, order 3, cw ***4 × rotation by 120°, order 3, ccw ***3 × rotation by 180°, order 2 *The octahedral group of order 24, rotational symmetry group of the cube and the regular octahedron. It is isomorphic to ''S''4. **The conjugacy classes of ''O'' are: ***identity ***6 × rotation by ±90° around vertices, order 4 ***8 × rotation by ±120° around triangle centers, order 3 ***3 × rotation by 180° around vertices, order 2 ***6 × rotation by 180° around midpoints of edges, order 2 *The icosahedral group of order 60, rotational symmetry group of the regular dodecahedron and the regular icosahedron. It is isomorphic to ''A''5. **The conjugacy classes of ' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Reflection Groups (Cnh)
Reflection or reflexion may refer to: Science and technology * Reflection (physics), a common wave phenomenon ** Specular reflection, reflection from a smooth surface *** Mirror image, a reflection in a mirror or in water ** Signal reflection, in signal transmission * Elastic scattering, a process in nuclear and particle physics * Reflection nebula, a nebula that is extended and has no boundaries * Reflection seismology or seismic reflection, a method of exploration geophysics Mathematics * Reflection principle, in set theory * Point reflection, a reflection across a point * Reflection (mathematics), a transformation of a space * Reflection formula, a relation in a function * Reflective subcategory, in category theory Computing * Reflection (computer graphics), simulation of reflective surfaces * Reflection (computer programming), a program that accesses or modifies its own code * Reflection, terminal emulation software by Attachmate Arts and entertainment Film and televisi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pyramidal Groups (Cnv)
A pyramid (from el, πυραμίς ') is a structure whose outer surfaces are triangular and converge to a single step at the top, making the shape roughly a pyramid in the geometric sense. The base of a pyramid can be trilateral, quadrilateral, or of any polygon shape. As such, a pyramid has at least three outer triangular surfaces (at least four faces including the base). The square pyramid, with a square base and four triangular outer surfaces, is a common version. A pyramid's design, with the majority of the weight closer to the ground and with the pyramidion at the apex, means that less material higher up on the pyramid will be pushing down from above. This distribution of weight allowed early civilizations to create stable monumental structures. Civilizations in many parts of the world have built pyramids. The largest pyramid by volume is the Great Pyramid of Cholula, in the Mexican state of Puebla. For thousands of years, the largest structures on Earth were pyramids ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
