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Agostic Interaction
In organometallic chemistry, agostic interaction refers to the interaction of a coordinatively-unsaturated transition metal with a C−H bond, when the two electrons involved in the C−H bond enter the empty d-orbital of the transition metal, resulting in a three-center two-electron bond. Many catalytic transformations, e.g. oxidative addition and reductive elimination, are proposed to proceed via intermediates featuring agostic interactions. Agostic interactions are observed throughout organometallic chemistry in alkyl, alkylidene, and polyenyl ligands. History The term agostic, derived from the Ancient Greek word for "to hold close to oneself", was coined by Maurice Brookhart and Malcolm Green, on the suggestion of the classicist Jasper Griffin, to describe this and many other interactions between a transition metal and a C−H bond. Often such agostic interactions involve alkyl or aryl groups that are held close to the metal center through an additional σ-bond.. Short ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Organometallic Chemistry
Organometallic chemistry is the study of organometallic compounds, chemical compounds containing at least one chemical bond between a carbon atom of an organic molecule and a metal, including alkali, alkaline earth, and transition metals, and sometimes broadened to include metalloids like boron, silicon, and selenium, as well. Aside from bonds to organyl fragments or molecules, bonds to 'inorganic' carbon, like carbon monoxide (metal carbonyls), cyanide, or carbide, are generally considered to be organometallic as well. Some related compounds such as transition metal hydrides and metal phosphine complexes are often included in discussions of organometallic compounds, though strictly speaking, they are not necessarily organometallic. The related but distinct term " metalorganic compound" refers to metal-containing compounds lacking direct metal-carbon bonds but which contain organic ligands. Metal β-diketonates, alkoxides, dialkylamides, and metal phosphine complexes are repres ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ruthenium
Ruthenium is a chemical element with the Symbol (chemistry), symbol Ru and atomic number 44. It is a rare transition metal belonging to the platinum group of the periodic table. Like the other metals of the platinum group, ruthenium is inert to most other chemicals. Russian-born scientist of Baltic-German ancestry Karl Ernst Claus discovered the element in 1844 at Kazan State University and named ruthenium in honor of Russian Empire, Russia. Ruthenium is usually found as a minor component of platinum ores; the annual production has risen from about 19 tonnes in 2009Summary. Ruthenium platinum.matthey.com, p. 9 (2009) to some 35.5 tonnes in 2017. Most ruthenium produced is used in wear-resistant electrical contacts and thick-film resistors. A minor application for ruthenium is in platinu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hydrogen Bond
In chemistry, a hydrogen bond (or H-bond) is a primarily electrostatic force of attraction between a hydrogen (H) atom which is covalently bound to a more electronegative "donor" atom or group (Dn), and another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Such an interacting system is generally denoted , where the solid line denotes a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. The most frequent donor and acceptor atoms are the second-row elements nitrogen (N), oxygen (O), and fluorine (F). Hydrogen bonds can be intermolecular (occurring between separate molecules) or intramolecular (occurring among parts of the same molecule). The energy of a hydrogen bond depends on the geometry, the environment, and the nature of the specific donor and acceptor atoms and can vary between 1 and 40 kcal/mol. This makes them somewhat stronger than a van der Waals interaction, and weaker than fully covalent ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Compliance Constants
Compliance Constants are the elements of an inverted Hessian matrix. The calculation of compliance constants provides an alternative description of chemical bonds in comparison with the widely used force constants explicitly ruling out the dependency on the coordinate system. They provide the unique description of the mechanical strength for covalent and non-covalent bonding. While force constants (as energy second derivatives) are usually given in a J/Å or N/cm, compliance constants are given in Å/a J or Å/ mdyn. History Hitherto, recent publications that broke the wall of putative chemical understanding and presented detection/isolation of novel compounds with intriguing bonding characters can still be provocative at times. The stir in such discoveries arose partly from the lack of a universally accepted bond descriptor. While bond dissociation energies (BDE) and rigid force constants have been generally regarded as primary tools for such interpretation, they are prone t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments, vi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hydride
In chemistry, a hydride is formally the anion of hydrogen( H−). The term is applied loosely. At one extreme, all compounds containing covalently bound H atoms are called hydrides: water (H2O) is a hydride of oxygen, ammonia is a hydride of nitrogen, etc. For inorganic chemists, hydrides refer to compounds and ions in which hydrogen is covalently attached to a less electronegative element. In such cases, the H centre has nucleophilic character, which contrasts with the protic character of acids. The hydride anion is very rarely observed. Almost all of the elements form binary compounds with hydrogen, the exceptions being He, Ne, Ar, Kr, Pm, Os, Ir, Rn, Fr, and Ra. Exotic molecules such as positronium hydride have also been made. Bonds Bonds between hydrogen and the other elements range from highly to somewhat covalent. Some hydrides, e.g. boron hydrides, do not conform to classical electron-counting rules and the bonding is described in terms of multi-centered ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ångström
The angstromEntry "angstrom" in the Oxford online dictionary. Retrieved on 2019-03-02 from https://en.oxforddictionaries.com/definition/angstrom.Entry "angstrom" in the Merriam-Webster online dictionary. Retrieved on 2019-03-02 from https://www.merriam-webster.com/dictionary/angstrom. (, ; , ) or ångström is a metric unit of length equal to m; that is, one ten-billionth ( US) of a metre, a hundred-millionth of a centimetre,Entry "angstrom" in the Oxford English Dictionary, 2nd edition (1986). Retrieved on 2021-11-22 from https://www.oed.com/oed2/00008552. 0.1 nanometre, or 100 picometres. Its symbol is Å, a letter of the Swedish alphabet. The unit is named after the Swedish physicist Anders Jonas Ångström (1814–1874). The angstrom is often used in the natural sciences and technology to express sizes of atoms, molecules, microscopic biological structures, and lengths of chemical bonds, arrangement of atoms in crystals,Arturas Vailionis (2015):Geometry of Crystals Lect ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Neutron Diffraction
Neutron diffraction or elastic neutron scattering is the application of neutron scattering to the determination of the atomic and/or magnetic structure of a material. A sample to be examined is placed in a beam of thermal or cold neutrons to obtain a diffraction pattern that provides information of the structure of the material. The technique is similar to X-ray diffraction but due to their different scattering properties, neutrons and X-rays provide complementary information: X-Rays are suited for superficial analysis, strong x-rays from synchrotron radiation are suited for shallow depths or thin specimens, while neutrons having high penetration depth are suited for bulk samples.Measurement of residual stress in materials using neutrons |
Crystallography
Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). The word "crystallography" is derived from the Greek word κρύσταλλος (''krystallos'') "clear ice, rock-crystal", with its meaning extending to all solids with some degree of transparency, and γράφειν (''graphein'') "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography. denote a direction vector (in real space). * Coordinates in ''angle brackets'' or ''chevrons'' such as <100> denote a ''family'' of directions which are related by symmetry operations. In the cubic crystal system for example, would mean 00 10 01/nowiki> or the negative of any of those directions. * Miller indices in ''parentheses'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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