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Pentagonal Bipyramidal Molecular Geometry
In chemistry, a pentagonal bipyramid is a molecular geometry with one atom at the centre with seven ligands at the corners of a pentagonal bipyramid. A perfect pentagonal bipyramid belongs to the molecular point group ''D5h''. The pentagonal bipyramid is a case where bond angles surrounding an atom are not identical (see also trigonal bipyramidal molecular geometry). This is one of the three common shapes for heptacoordinate transition metal complexes, along with the capped octahedron and the capped trigonal prism. Pentagonal bipyramids are claimed to be promising coordination geometries for lanthanide-based Single-molecule magnets, since (a) they present no extradiagonal Crystal Field terms, therefore minimising spin mixing, and (b) all of their diagonal terms are in first approximation protected from low-energy vibrations, minimising vibronic coupling. Examples * Iodine heptafluoride Iodine heptafluoride, also known as iodine(VII) fluoride or iodine fluoride, is a ...
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Lanthanide
The lanthanide () or lanthanoid () series of chemical elements comprises the 15 metallic chemical elements with atomic numbers 57–71, from lanthanum through lutetium. These elements, along with the chemically similar elements scandium and yttrium, are often collectively known as the rare-earth elements or rare-earth metals. The informal chemical symbol Ln is used in general discussions of lanthanide chemistry to refer to any lanthanide. All but one of the lanthanides are f-block elements, corresponding to the filling of the 4f electron shell. There is some dispute on whether lanthanum or lutetium is a d-block element, but lutetium is usually considered so by those who study the matter; it is included due to its chemical similarities with the other 14. All lanthanide elements form trivalent cations, Ln3+, whose chemistry is largely determined by the ionic radius, which decreases steadily from lanthanum to lutetium. These elements are called lanthanides because the ele ...
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Chromium
Chromium is a chemical element with the symbol Cr and atomic number 24. It is the first element in group 6. It is a steely-grey, lustrous, hard, and brittle transition metal. Chromium metal is valued for its high corrosion resistance and hardness. A major development in steel production was the discovery that steel could be made highly resistant to corrosion and discoloration by adding metallic chromium to form stainless steel. Stainless steel and chrome plating ( electroplating with chromium) together comprise 85% of the commercial use. Chromium is also greatly valued as a metal that is able to be highly polished while resisting tarnishing. Polished chromium reflects almost 70% of the visible spectrum, and almost 90% of infrared light. The name of the element is derived from the Greek word χρῶμα, ''chrōma'', meaning color, because many chromium compounds are intensely colored. Industrial production of chromium proceeds from chromite ore (mostly FeCr2O4) to produce ...
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Peroxide
In chemistry, peroxides are a group of compounds with the structure , where R = any element. The group in a peroxide is called the peroxide group or peroxo group. The nomenclature is somewhat variable. The most common peroxide is hydrogen peroxide (), colloquially known simply as "peroxide". It is marketed as solutions in water at various concentrations. Many organic peroxides are known as well. In addition to hydrogen peroxide, some other major classes of peroxides are: * Peroxy acids, the peroxy derivatives of many familiar acids, examples being peroxymonosulfuric acid and peracetic acid, and their salts, one example of which is potassium peroxydisulfate. * Main group peroxides, compounds with the linkage (E = main group element). * Metal peroxides, examples being barium peroxide (), sodium peroxide Sodium peroxide is an inorganic compound with the formula Na2O2. This yellowish solid is the product of sodium ignited in excess oxygen. It is a strong base. This ...
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Iodine Heptafluoride
Iodine heptafluoride, also known as iodine(VII) fluoride or iodine fluoride, is an interhalogen compound with the chemical formula I F7. It has an unusual pentagonal bipyramidal structure, as predicted by VSEPR theory. The molecule can undergo a pseudorotational rearrangement called the Bartell mechanism, which is like the Berry mechanism but for a heptacoordinated system. It forms colourless crystals, which melt at 4.5 °C: the liquid range is extremely narrow, with the boiling point at 4.77 °C. The dense vapor has a mouldy, acrid odour. The molecule has D5h symmetry. Preparation IF7 is prepared by passing F2 through liquid IF5 at 90 °C, then heating the vapours to 270 °C. Alternatively, this compound can be prepared from fluorine and dried palladium or potassium iodide to minimize the formation of IOF5, an impurity arising by hydrolysis. Iodine heptafluoride is also produced as a by-product when dioxygenyl hexafluoroplatinate is used to prepare ot ...
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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 is not common due to difficulties associated with its evaluation. Definition Vibronic coupling describes the mixing of different electronic states as a result of small vibrations. : \mathbf_\equiv\langle\,\chi_(\mathbf;\mathbf)\,, \, \hat_\m ...
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Crystal Field Theory
Crystal field theory (CFT) describes the breaking of degeneracies of electron orbital states, usually ''d'' or ''f'' orbitals, due to a static electric field produced by a surrounding charge distribution (anion neighbors). This theory has been used to describe various spectroscopies of transition metal coordination complexes, in particular optical spectra (colors). CFT successfully accounts for some magnetic properties, colors, hydration enthalpies, and spinel structures of transition metal complexes, but it does not attempt to describe bonding. CFT was developed by physicists Hans Bethe and John Hasbrouck van Vleck in the 1930s. CFT was subsequently combined with molecular orbital theory to form the more realistic and complex ligand field theory (LFT), which delivers insight into the process of chemical bonding in transition metal complexes. Overview of crystal field theory According to crystal field theory, the interaction between a transition metal and ligands arises from the ...
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Matrix Mechanics
Matrix mechanics is a formulation of quantum mechanics created by Werner Heisenberg, Max Born, and Pascual Jordan in 1925. It was the first conceptually autonomous and logically consistent formulation of quantum mechanics. Its account of quantum jumps supplanted the Bohr model's electron orbits. It did so by interpreting the physical properties of particles as matrices that evolve in time. It is equivalent to the Schrödinger wave formulation of quantum mechanics, as manifest in Dirac's bra–ket notation. In some contrast to the wave formulation, it produces spectra of (mostly energy) operators by purely algebraic, ladder operator methods. Relying on these methods, Wolfgang Pauli derived the hydrogen atom spectrum in 1926, before the development of wave mechanics. Development of matrix mechanics In 1925, Werner Heisenberg, Max Born, and Pascual Jordan formulated the matrix mechanics representation of quantum mechanics. Epiphany at Helgoland In 1925 Werner Heisenberg was ...
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Single-molecule Magnets
A single-molecule magnet (SMM) is a metal-organic compound that has superparamagnetic behavior below a certain blocking temperature at the molecular scale. In this temperature range, a SMM exhibits magnetic hysteresis of purely molecular origin.Introduction to Molecular Magnetism
by Dr. Joris van Slageren.
In contrast to conventional bulk s and molecule-based magnets, collective long-range magnetic ordering of s is not necessary.
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Inorganic Chemistry (journal)
''Inorganic Chemistry'' is a biweekly peer-reviewed scientific journal published by the American Chemical Society since 1962. It covers research in all areas of inorganic chemistry. The current editor-in-chief is William B. Tolman (Washington University). Abstracting and indexing The journal is abstracted and indexed in: According to the ''Journal Citation Reports'', the journal has a 2021 impact factor of 5.436. See also * ''Organometallics ''Organometallics'' is a biweekly journal published by the American Chemical Society. Its area of focus is organometallic and organometalloid chemistry. This peer-reviewed journal has an impact factor of 3.837 as reported by the 2021 Journal Cit ...'' References External links * American Chemical Society academic journals Biweekly journals Publications established in 1962 English-language journals Inorganic chemistry journals {{chem-journal-stub ...
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Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both basic and applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth ( botany), the formation of igneous rocks ( geology), how atmospheric ozone is formed and how environmental pollutants are degraded ( ecology), the properties of the soil on the moon ( cosmochemistry), how medications work ( pharmacology), and how to collec ...
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Capped Trigonal Prismatic Molecular Geometry
In chemistry, the capped trigonal prismatic molecular geometry describes the shape of compounds where seven atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of an augmented triangular prism. This shape has C2v symmetry and is one of the three common shapes for heptacoordinate transition metal complexes, along with the pentagonal bipyramid In geometry, the pentagonal bipyramid (or dipyramid) is third of the infinite set of face-transitive bipyramids, and the 13th Johnson solid (). Each bipyramid is the dual of a uniform prism. Although it is face-transitive, it is not a Plat ... and the capped octahedron. Examples of the capped trigonal prismatic molecular geometry are the heptafluorotantalate () and the heptafluoroniobate () ions. References Stereochemistry Molecular geometry {{chemistry-stub ...
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