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Racah Parameter
When an atom has more than one electron there will be some electrostatic repulsion between those electrons. The amount of repulsion varies from atom to atom, depending upon the number and spin of the electrons and the orbitals they occupy. The total repulsion can be expressed in terms of three parameters ''A'', ''B'' and ''C'' which are known as the Racah parameters after Giulio Racah, who first described them. They are generally obtained empirically from gas-phase spectroscopic studies of atoms. They are often used in transition-metal chemistry to describe the repulsion energy associated with an electronic term. For example, the interelectronic repulsion of a 3P term is ''A'' + 7''B'', and of a 3F term is ''A'' - 8''B'', and the difference between them is therefore 15''B''. Definition The Racah parameters are defined as \begin A \\ B\\ C\\ \end = \begin 1 & 0 & -49\\ 0 & 1 & -5 \\ 0 & 0 & 35 \\ \end\begin F_0 \\ F_2\\ F_4\\ \end where F_k are Slater integrals \begin F_ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atom
Every atom is composed of a nucleus and one or more electrons bound to the nucleus. The nucleus is made of one or more protons and a number of neutrons. Only the most common variety of hydrogen has no neutrons. Every solid, liquid, gas, and plasma is composed of neutral or ionized atoms. Atoms are extremely small, typically around 100 picometers across. They are so small that accurately predicting their behavior using classical physics, as if they were tennis balls for example, is not possible due to quantum effects. More than 99.94% of an atom's mass is in the nucleus. The protons have a positive electric charge, the electrons have a negative electric charge, and the neutrons have no electric charge. If the number of protons and electrons are equal, then the atom is electrically neutral. If an atom has more or fewer electrons than protons, then it has an overall negative or positive charge, respectively – such atoms are called ions. The electrons of an atom are a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron
The electron ( or ) is a subatomic particle with a negative one elementary electric charge. Electrons belong to the first generation of the lepton particle family, and are generally thought to be elementary particles because they have no known components or substructure. The electron's mass is approximately 1/1836 that of the proton. Quantum mechanical properties of the electron include an intrinsic angular momentum ( spin) of a half-integer value, expressed in units of the reduced Planck constant, . Being fermions, no two electrons can occupy the same quantum state, in accordance with the Pauli exclusion principle. Like all elementary particles, electrons exhibit properties of both particles and waves: They can collide with other particles and can be diffracted like light. The wave properties of electrons are easier to observe with experiments than those of other particles like neutrons and protons because electrons have a lower mass and hence a longer de Broglie wavele ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electrostatic
Electrostatics is a branch of physics that studies electric charges at rest (static electricity). Since classical times, it has been known that some materials, such as amber, attract lightweight particles after rubbing. The Greek word for amber, (), was thus the source of the word 'electricity'. Electrostatic phenomena arise from the forces that electric charges exert on each other. Such forces are described by Coulomb's law. Even though electrostatically induced forces seem to be rather weak, some electrostatic forces are relatively large. The force between an electron and a proton, which together make up a hydrogen atom, is about 36 orders of magnitude stronger than the gravitational force acting between them. There are many examples of electrostatic phenomena, from those as simple as the attraction of plastic wrap to one's hand after it is removed from a package, to the apparently spontaneous explosion of grain silos, the damage of electronic components during manufacturi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spin (physics)
Spin is a conserved quantity carried by elementary particles, and thus by composite particles (hadrons) and atomic nucleus, atomic nuclei. Spin is one of two types of angular momentum in quantum mechanics, the other being ''orbital angular momentum''. The orbital angular momentum operator is the quantum-mechanical counterpart to the classical angular momentum of orbital revolution and appears when there is periodic structure to its wavefunction as the angle varies. For photons, spin is the quantum-mechanical counterpart of the Polarization (waves), polarization of light; for electrons, the spin has no classical counterpart. The existence of electron spin angular momentum is inferred from experiments, such as the Stern–Gerlach experiment, in which silver atoms were observed to possess two possible discrete angular momenta despite having no orbital angular momentum. The existence of the electron spin can also be inferred theoretically from the spin–statistics theorem and from th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomic Orbital
In atomic theory and quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term ''atomic orbital'' may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital. Each orbital in an atom is characterized by a set of values of the three quantum numbers , , and , which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (magnetic quantum number). Alternative to the magnetic quantum number, the orbitals are often labeled by the associated harmonic polynomials (e.g., ''xy'', ). Each such orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simple names s orbital, p orb ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Giulio Racah
Giulio (Yoel) Racah ( he, ג'וליו (יואל) רקח; February 9, 1909 – August 28, 1965) was an Italian–Israeli physicist and mathematician. He was Acting President of the Hebrew University of Jerusalem from 1961 to 1962. The crater Racah on the Moon is named after him. Biography Giulio (Yoel) Racah was born in Florence, Italy. He earned his BA from the University of Florence in 1930, and continued his studies at Rome with Enrico Fermi. In 1939, due to application of Anti-Jewish laws in Italy, Racah emigrated to the British Mandate of Palestine. In the 1948 Arab–Israeli War, Racah served as deputy commander of the Israeli forces defending Mount Scopus. Racah died at the age of 56, apparently asphyxiated by gas from a faulty heater while visiting Florence. Academic and scientific career In 1937 Racah was appointed Professor of Physics at the University of Pisa. In 1939, after his move to Palestine, he was appointed Professor of Theoretical Physics at the Hebrew ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spectroscopic
Spectroscopy is the field of study that measures and interprets the electromagnetic spectra that result from the interaction between electromagnetic radiation and matter as a function of the wavelength or frequency of the radiation. Matter waves and acoustic waves can also be considered forms of radiative energy, and recently gravitational waves have been associated with a spectral signature in the context of the Laser Interferometer Gravitational-Wave Observatory (LIGO) In simpler terms, spectroscopy is the precise study of color as generalized from visible light to all bands of the electromagnetic spectrum. Historically, spectroscopy originated as the study of the wavelength dependence of the absorption by gas phase matter of visible light dispersed by a prism. Spectroscopy, primarily in the electromagnetic spectrum, is a fundamental exploratory tool in the fields of astronomy, chemistry, materials science, and physics, allowing the composition, physical structure and elec ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Term Symbol
In quantum mechanics Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, ..., the term symbol is an abbreviated description of the (total) angular momentum quantum numbers in a multi-electron atom (however, even a single electron can be described by a term symbol). Each energy level of an atom with a given electron configuration is described by not only the electron configuration but also its own term symbol, as the energy level also depends on the total angular momentum including spin. The usual atomic term symbols assume angular momentum coupling#LS coupling, LS coupling (also known as Henry Norris Russell, Russell–Frederick Albert Saunders, Saunders coupling or spin-orbit coupling). The ground state term symbol is predicted by List of Hund's rules, Hund's rules. The use of the word '' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Slater Integrals
In mathematics and mathematical physics, Slater integrals are certain integrals of products of three spherical harmonics. They occur naturally when applying an orthonormal basis of functions on the unit sphere that transform in a particular way under rotations in three dimensions. Such integrals are particularly useful when computing properties of atoms which have natural spherical symmetry. These integrals are defined below along with some of their mathematical properties. Formulation In connection with the quantum theory of atomic structure, John C. Slater defined the integral of three spherical harmonics as a coefficient c.John C. Slater, Quantum Theory of Atomic Structure, McGraw-Hill (New York, 1960), Volume I These coefficients are essentially the product of two Wigner 3jm symbols. :c^k(\ell,m,\ell',m')=\int d^2\Omega \ Y_\ell^m(\Omega)^* Y_^(\Omega) Y_k^(\Omega) These integrals are useful and necessary when doing atomic calculations of the Hartree–Fock variety where mat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atomic Orbital
In atomic theory and quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term ''atomic orbital'' may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital. Each orbital in an atom is characterized by a set of values of the three quantum numbers , , and , which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (magnetic quantum number). Alternative to the magnetic quantum number, the orbitals are often labeled by the associated harmonic polynomials (e.g., ''xy'', ). Each such orbital can be occupied by a maximum of two electrons, each with its own projection of spin m_s. The simple names s orbital, p orb ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tanabe–Sugano Diagram
In coordination chemistry, Tanabe–Sugano diagrams are used to predict absorptions in the ultraviolet (UV), 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 splitting energy. Tanabe–Sugano diagrams can be used for both high 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 all other terms and their components are plotted with respect to the ground ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
