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Laporte Selection Rule
The Laporte rule is a rule that explains the intensities of absorption spectra for chemical species. It is a selection rule that rigorously applies to atoms, and to molecules that are centrosymmetric, i.e. with an inversion centre. It states that electronic transitions that conserve parity are forbidden. Thus transitions between two states that are each symmetric with respect to an inversion centre will not be observed. Transitions between states that are antisymmetric with respect to inversion are forbidden as well. In the language of symmetry, ''g'' (gerade = even (German)) → ''g'' and ''u'' (ungerade = odd) → ''u'' transitions are forbidden. Allowed transitions must involve a change in parity, either ''g'' → ''u'' or ''u'' → ''g''. For atoms s and d orbitals are gerade, and p and f orbitals are ungerade. The Laporte rule implies that s to s, p to p, d to d, etc. transitions should not be observed in atoms or centrosymmetric molecules. Practically speaking, only d-d t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Selection Rule
In physics and chemistry, a selection rule, or transition rule, formally constrains the possible transitions of a system from one quantum state to another. Selection rules have been derived for electromagnetic transitions in molecules, in atoms, in atomic nucleus, atomic nuclei, and so on. The selection rules may differ according to the technique used to observe the transition. The selection rule also plays a role in chemical reactions, where some are formally spin-forbidden reactions, that is, reactions where the spin state changes at least once from Reagent, reactants to Product (chemistry), products. In the following, mainly atomic and molecular transitions are considered. Overview In quantum mechanics the basis for a spectroscopic selection rule is the value of the ''transition moment integral'' :m_ = \int \psi_1^* \, \mu \, \psi_2 \, \mathrm\tau, where \psi_1 and \psi_2 are the wave functions of the two states, "state 1" and "state 2", involved in the transition, a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Center Of Symmetry
A fixed point of an isometry group is a point that is a fixed point for every isometry in the group. For any isometry group in Euclidean space the set of fixed points is either empty or an affine space. For an object, any unique centre and, more generally, any point with unique properties with respect to the object is a fixed point of its symmetry group. In particular this applies for the centroid of a figure, if it exists. In the case of a physical body, if for the symmetry not only the shape but also the density is taken into account, it applies to the centre of mass. If the set of fixed points of the symmetry group of an object is a singleton then the object has a specific centre of symmetry. The centroid and centre of mass, if defined, are this point. Another meaning of "centre of symmetry" is a point with respect to which inversion symmetry applies. Such a point needs not be unique; if it is not, there is translational symmetry, hence there are infinitely many of such points ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Selection Rule
In physics and chemistry, a selection rule, or transition rule, formally constrains the possible transitions of a system from one quantum state to another. Selection rules have been derived for electromagnetic transitions in molecules, in atoms, in atomic nucleus, atomic nuclei, and so on. The selection rules may differ according to the technique used to observe the transition. The selection rule also plays a role in chemical reactions, where some are formally spin-forbidden reactions, that is, reactions where the spin state changes at least once from Reagent, reactants to Product (chemistry), products. In the following, mainly atomic and molecular transitions are considered. Overview In quantum mechanics the basis for a spectroscopic selection rule is the value of the ''transition moment integral'' :m_ = \int \psi_1^* \, \mu \, \psi_2 \, \mathrm\tau, where \psi_1 and \psi_2 are the wave functions of the two states, "state 1" and "state 2", involved in the transition, a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tanabe–Sugano Diagram
In coordination chemistry, Tanabe–Sugano diagrams are used to predict absorption (optics), absorptions in the ultraviolet (UV), Visible spectrum, visible and infrared (IR) electromagnetic spectrum of coordination compounds. The results from a Tanabe–Sugano diagram analysis of a metal complex can also be compared to experimental spectroscopic data. They are qualitatively useful and can be used to approximate the value of 10Dq, the ligand field theory, ligand field splitting energy. Tanabe–Sugano diagrams can be used for both high Spin chemistry, spin and low spin complexes, unlike Orgel diagrams, which apply only to high spin complexes. Tanabe–Sugano diagrams can also be used to predict the size of the ligand field necessary to cause high-spin to low-spin transitions. In a Tanabe–Sugano diagram, the ground state is used as a constant reference, in contrast to Orgel diagrams. The energy of the ground state is taken to be zero for all field strengths, and the energies of a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ligand Field Theory
Ligand field theory (LFT) describes the bonding, orbital arrangement, and other characteristics of coordination complexes. It represents an application of molecular orbital theory to transition metal complexes. A transition metal ion has nine valence atomic orbitals - consisting of five ''n''d, one (''n''+1)s, and three (''n''+1)p orbitals. These orbitals have the appropriate energy to form bonding interactions with ligands. The LFT analysis is highly dependent on the geometry of the complex, but most explanations begin by describing octahedral complexes, where six ligands coordinate with the metal. Other complexes can be described with reference to crystal field theory. Inverted ligand field theory (ILFT) elaborates on LFT by breaking assumptions made about relative metal and ligand orbital energies. History Ligand field theory resulted from combining the principles laid out in molecular orbital theory and crystal field theory, which describe the loss of degeneracy of metal d ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tetrahedral Molecular Geometry
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron. The bond angles are arccos(−) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane () as well as its heavier analogues. Methane and other perfectly symmetrical tetrahedral molecules belong to point group ''Td'', but most tetrahedral molecules have lower symmetry. Tetrahedral molecules can be chiral. Tetrahedral bond angle The bond angle for a symmetric tetrahedral molecule such as CH4 may be calculated using the dot product of two vectors. As shown in the diagram at left, the molecule can be inscribed in a cube with the tetravalent atom (e.g. carbon) at the cube centre which is the origin of coordinates, O. The four monovalent atoms (e.g. hydrogens) are at four corners of the cube (A, B, C, D) chosen so that no two atoms are at adjacent corners linked by only one cube edge. If the edge len ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Oxford University Press
Oxford University Press (OUP) is the publishing house of the University of Oxford. It is the largest university press in the world. Its first book was printed in Oxford in 1478, with the Press officially granted the legal right to print books by decree in 1586. It is the second-oldest university press after Cambridge University Press, which was founded in 1534. It is a department of the University of Oxford. It is governed by a group of 15 academics, the Delegates of the Press, appointed by the Vice Chancellor, vice-chancellor of the University of Oxford. The Delegates of the Press are led by the Secretary to the Delegates, who serves as OUP's chief executive and as its major representative on other university bodies. Oxford University Press has had a similar governance structure since the 17th century. The press is located on Walton Street, Oxford, Walton Street, Oxford, opposite Somerville College, Oxford, Somerville College, in the inner suburb of Jericho, Oxford, Jericho. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Vibronic Coupling
Vibronic coupling (also called nonadiabatic coupling or derivative coupling) in a molecule involves the interaction between electronic and nuclear vibrational motion. The term "vibronic" originates from the combination of the terms "vibrational" and "electronic", denoting the idea that in a molecule, vibrational and electronic interactions are interrelated and influence each other. The magnitude of vibronic coupling reflects the degree of such interrelation. In theoretical chemistry, the vibronic coupling is neglected within the Born–Oppenheimer approximation. Vibronic couplings are crucial to the understanding of nonadiabatic processes, especially near points of conical intersections. The direct calculation of vibronic couplings used to be uncommon due to difficulties associated with its evaluation, but has recently gained popularity due to increased interest in the quantitative prediction of internal conversion rates, as well as the development of cheap but rigorous ways ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Vibronic Transition
Vibronic spectroscopy is a branch of molecular spectroscopy concerned with vibronic transitions: the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. In the gas phase, vibronic transitions are also accompanied by changes in rotational energy. Vibronic spectra of diatomic molecules have been analysed in detail; emission spectra are more complicated than absorption spectra. The intensity of allowed vibronic transitions is governed by the Franck–Condon principle. Vibronic spectroscopy may provide information, such as bond length, on electronic excited states of stable molecules. It has also been applied to the study of unstable molecules such as dicarbon (C2) in discharges, flames and astronomical objects.Hollas, p. 211. Principles Electronic transitions are typically observed in the visible and ultraviolet regions, in the wavelength range approximately 200–700&nb ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
University Of The West Indies, Mona
A university () is an institution of tertiary education and research which awards academic degrees in several academic disciplines. ''University'' is derived from the Latin phrase , which roughly means "community of teachers and scholars". Universities typically offer both undergraduate and postgraduate programs. The first universities in Europe were established by Catholic monks. The University of Bologna (), Italy, which was founded in 1088, is the first university in the sense of: *being a high degree-awarding institute. *using the word (which was coined at its foundation). *having independence from the ecclesiastic schools and issuing secular as well as non-secular degrees (with teaching conducted by both clergy and non-clergy): grammar, rhetoric, logic, theology, canon law and notarial law.Hunt Janin: "The university in medieval life, 1179–1499", McFarland, 2008, , p. 55f.de Ridder-Symoens, Hilde''A History of the University in Europe: Volume 1, Universities in the Middl ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Octahedral Molecular Geometry
In chemistry, octahedral molecular geometry, also called square bipyramidal, describes the shape of compounds with six atoms or groups of atoms or ligands symmetrically arranged around a central atom, defining the vertices of an octahedron. The octahedron has eight faces, hence the prefix '' octa''. The octahedron is one of the Platonic solids, although octahedral molecules typically have an atom in their centre and no bonds between the ligand atoms. A perfect octahedron belongs to the point group Oh. Examples of octahedral compounds are sulfur hexafluoride SF6 and molybdenum hexacarbonyl Mo(CO)6. The term "octahedral" is used somewhat loosely by chemists, focusing on the geometry of the bonds to the central atom and not considering differences among the ligands themselves. For example, , which is not octahedral in the mathematical sense due to the orientation of the bonds, is referred to as octahedral. The concept of octahedral coordination geometry was developed by Alfred ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Centrosymmetric
In crystallography, a centrosymmetric point group contains an inversion center as one of its symmetry elements. In such a point group, for every point (x, y, z) in the unit cell there is an indistinguishable point (-x, -y, -z). Such point groups are also said to have ''inversion'' symmetry. Point reflection is a similar term used in geometry. Crystals with an inversion center cannot display certain properties, such as the piezoelectric effect and the frequency doubling effect (second-harmonic generation). In addition, in such crystals, one-photon absorption (OPA) and two-photon absorption (TPA) processes are mutually exclusive, i.e., they do not occur simultaneously, and provide complementary information. The following space groups have inversion symmetry: the triclinic space group 2, the monoclinic 10-15, the orthorhombic 47-74, the tetragonal 83-88 and 123-142, the trigonal 147, 148 and 162-167, the hexagonal 175, 176 and 191-194, the cubic 200-206 and 221-230. Point g ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
