Diboryne
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Diboryne
A diboryne in chemistry is a chemical compound containing a boron–boron triple bond. Such compounds are of fundamental importance in the study of chemical bonding, though only few have been reported. A diboryne stabilized by two carbon monoxide groups, (OC)B≡B(CO), was reported isolated in matrix isolation in 2002. A diboryne stable at room temperature with two ''N''-heterocyclic carbene (NHC) units was reported by Holger Braunschweig et al. in 2012. In terms of qualitative molecular orbital theory In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecul ..., the B2 molecule itself is expected to have a single bond, but with NHC ligands, the third excited state yields a triple bond. See also * Diborene References {{reflist Boron compounds ...
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Diboron
A molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same number of molecular orbitals, although the electrons involved may be redistributed among the orbitals. This tool is very well suited for simple diatomic molecules such as dihydrogen, dioxygen, and carbon monoxide but becomes more complex when discussing even comparatively simple polyatomic molecules, such as methane. MO diagrams can explain why some molecules exist and others do not. They can also predict bond strength, as well as the electronic transitions that can take place. History Qualitative MO theory was introduced in 1928 by Robert S. Mulliken and Friedrich Hund. A mathematical description w ...
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Chemistry
Chemistry is the science, scientific study of the properties and behavior of matter. It is a natural science that covers the Chemical element, elements that make up matter to the chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a Chemical reaction, reaction with other Chemical substance, 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 research, basic and Applied science, 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 ...
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Chemical Compound
A chemical compound is a chemical substance composed of many identical molecules (or molecular entities) containing atoms from more than one chemical element held together by chemical bonds. A molecule consisting of atoms of only one element is therefore not a compound. A compound can be transformed into a different substance by a chemical reaction, which may involve interactions with other substances. In this process, bonds between atoms may be broken and/or new bonds formed. There are four major types of compounds, distinguished by how the constituent atoms are bonded together. Molecular compounds are held together by covalent bonds; ionic compounds are held together by ionic bonds; intermetallic compounds are held together by metallic bonds; coordination complexes are held together by coordinate covalent bonds. Non-stoichiometric compounds form a disputed marginal case. A chemical formula specifies the number of atoms of each element in a compound molecule, using the s ...
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Boron
Boron is a chemical element with the symbol B and atomic number 5. In its crystalline form it is a brittle, dark, lustrous metalloid; in its amorphous form it is a brown powder. As the lightest element of the ''boron group'' it has three valence electrons for forming covalent bonds, resulting in many compounds such as boric acid, the mineral borax, sodium borate, and the ultra-hard crystals of boron carbide and boron nitride. Boron is synthesized entirely by cosmic ray spallation and supernovae and not by stellar nucleosynthesis, so it is a low-abundance element in the Solar System and in the Crust (geology), Earth's crust. It constitutes about 0.001 percent by weight of Earth's crust. It is concentrated on Earth by the water-solubility of its more common naturally occurring compounds, the borate minerals. These are mined industrially as evaporites, such as borax and kernite. The largest known deposits are in Turkey, the largest producer of boron minerals. Elemental b ...
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Triple Bond
A triple bond in chemistry is a chemical bond between two atoms involving six bonding electrons instead of the usual two in a covalent single bond. Triple bonds are stronger than the equivalent single bonds or double bonds, with a bond order of three. The most common triple bond, that between two carbon atoms, can be found in alkynes. Other functional groups containing a triple bond are cyanides and isocyanides. Some diatomic molecules, such as dinitrogen and carbon monoxide, are also triple bonded. In skeletal formulae the triple bond is drawn as three parallel lines (≡) between the two connected atoms. Bonding The types of bonding can be explained in terms of orbital hybridization. In the case of acetylene each carbon atom has two sp-orbitals and two p-orbitals. The two sp-orbitals are linear with 180° angles and occupy the x-axis ( cartesian coordinate system). The p-orbitals are perpendicular on the y-axis and the z-axis. When the carbon atoms approach each other, ...
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Matrix Isolation
Matrix isolation is an experimental technique used in chemistry and physics. It generally involves a material being trapped within an unreactive matrix. A ''host'' matrix is a continuous solid phase in which ''guest'' particles (atoms, molecules, ions, etc.) are embedded. The guest is said to be ''isolated'' within the ''host'' matrix. Initially the term matrix-isolation was used to describe the placing of a chemical species in any unreactive material, often polymers or resins, but more recently has referred specifically to gases in low-temperature solids. A typical matrix isolation experiment involves a guest sample being diluted in the gas phase with the host material, usually a noble gas or nitrogen. This mixture is then deposited on a window that is cooled to below the melting point of the host gas. The sample may then be studied using various spectroscopic procedures. Experimental setup The transparent window, on to which the sample is deposited, is usually cooled using a c ...
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N-heterocyclic Carbene
A persistent carbene (also known as stable carbene) is a type of carbene demonstrating particular stability. The best-known examples and by far largest subgroup are the ''N''-heterocyclic carbenes (NHC) (sometimes called Arduengo carbenes), for example diaminocarbenes with the general formula (R2N)2C:, where the four R moieties are typically alkyl and aryl groups. The groups can be linked to give heterocyclic carbenes, such as those derived from imidazole, imidazoline, thiazole or triazole. Traditionally carbenes are viewed as so reactive that were only studied indirectly, such as by trapping reactions. This situation has changed dramatically with the emergence of persistent carbenes. Although they are fairly reactive substances, undergoing dimerization, many can be isolated as pure substances. Persistent carbenes tend to exist in the singlet. Their stability is only partly due to steric hindrance by bulky groups. Some singlet carbenes are thermodynamically stable and can be iso ...
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Holger Braunschweig
Holger Braunschweig is Head and Chair of Inorganic Chemistry at the Julius-Maximilians-University of Würzburg in Würzburg, Germany. He is best known for founding the field of transition metal- boron multiple bonding (transition metal borylenes), the synthesis of the first stable compounds containing boron-boron and boron-oxygen triple bonds, the isolation of the first non-carbon/nitrogen main-group dicarbonyl, and the first fixation of dinitrogen at an element of the p-block of the periodic table. By modifying a strategy pioneered by Prof. Gregory Robinson of the University of Georgia, Braunschweig also discovered the first rational and high-yield synthesis of neutral compounds containing boron-boron double bonds ( diborenes). In 2016 Braunschweig isolated the first compounds of beryllium in the oxidation state of zero. Education and research career Braunschweig obtained his Ph.D. and Habilitation from RWTH Aachen with P. Paetzold and worked as a postdoctoral researcher wi ...
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Molecular Orbital Theory
In chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms. Molecular orbital theory revolutionized the study of chemical bonding by approximating the states of bonded electrons—the molecular orbitals—as linear combinations of atomic orbitals (LCAO). These approximations are made by applying the density functional theory (DFT) or Hartree–Fock (HF) models to the Schrödinger equation. Molecular orbital theory and valence bond theory are the foundational ...
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Diborene
Diborane(2) or diborene is a theoretical/hypothetical inorganic compound with the formula B2H2. Diborenes also refers to a series of molecules with a formula R:(BH)=(BH):R, where R is an organic group. B2H2 are unstable under ambient conditions. They are synthesized by pulsed laser ablation of boron in a mixed hydrogen-argon gas atmosphere. Upon cooling the mixture, the argon gas changes into a solid, thereby stabilizing the trapped diboranes. B2H2 is a linear molecule with a triplet ground state, as revealed by electron paramagnetic resonance Electron paramagnetic resonance (EPR) or electron spin resonance (ESR) spectroscopy is a method for studying materials that have unpaired electrons. The basic concepts of EPR are analogous to those of nuclear magnetic resonance (NMR), but the spi ..., and shows an antisymmetric stretching mode at 2679.9 cm–1. References Boranes {{theoretical-chem-stub ...
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