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Carter–Goddard–Malrieu–Trinquier Model
The Carter–Goddard–Malrieu–Trinquier model (better known as CGMT model) is a model in inorganic chemistry, used for the description and prediction of distortions in multiple bonding systems of main group elements. Theory The model predicts that if the double bond is homolytically cleaved in a system R1 R2 M = MR3 R4, the two carbene analog fragments resulting therefrom can subsequently be present in both a singlet and a triplet state. Independently, however, the basic state of the fragments may be a triplet or a singlet state. EA Carter and WA Goddard III showed that the binding energy EG results from the bond dissociation energy The bond-dissociation energy (BDE, ''D''0, or ''DH°'') is one measure of the strength of a chemical bond . It can be defined as the standard enthalpy change when is cleaved by homolysis to give fragments A and B, which are usually radical ... E int minus the sum of the singlet-triplet excitation energies ΣΔE S → T of the resulting f ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Inorganic Chemistry
Inorganic chemistry deals with chemical synthesis, synthesis and behavior of inorganic compound, inorganic and organometallic chemistry, organometallic compounds. This field covers chemical compounds that are not carbon-based, which are the subjects of organic chemistry. The distinction between the two disciplines is far from absolute, as there is much overlap in the subdiscipline of organometallic chemistry. It has applications in every aspect of the chemical industry, including catalysis, materials science, pigments, surfactants, coatings, pharmaceutical drug, medications, fuels, and agriculture. Occurrence Many inorganic compounds are found in nature as minerals. Soil may contain iron sulfide as pyrite or calcium sulfate as gypsum. Inorganic compounds are also found multitasking as biomolecules: as electrolytes (sodium chloride), in energy storage (Adenosine triphosphate, ATP) or in construction (the polyphosphate backbone in DNA). Bonding Inorganic compounds exhibit a range ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Main-group Element
In chemistry and atomic physics, the main group is the group (periodic table), group of chemical element, elements (sometimes called the representative elements) whose lightest members are represented by helium, lithium, beryllium, boron, carbon, nitrogen, oxygen, and fluorine as arranged in the periodic table of the elements. The main group includes the elements (except hydrogen, which is sometimes not included) in groups 1 and 2 (s-block), and groups 13 to 18 (p-block). The s-block elements are primarily characterised by one main oxidation state, and the p-block elements, when they have multiple oxidation states, often have common oxidation states separated by two units. Main-group elements (with some of the lighter transition metals) are the most abundance of the chemical elements, abundant elements on Earth, in the Solar System, and in the universe. Group 12 elements are often considered to be transition metals; however, zinc (Zn), cadmium (Cd), and mercury (element), mercury ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbene
In organic chemistry, a carbene is a molecule containing a neutral carbon atom with a Valence (chemistry), valence of two and two unshared valence electrons. The general formula is or where the R represents substituents or hydrogen atoms. The term "carbene" may also refer to the specific compound , also called methylene radical, methylene, the parent hydride from which all other carbene compounds are formally derived. There are two types of carbenes: singlet state, singlets or triplet state, triplets, depending upon their electronic structure. The different classes undergo different reactions. Most carbenes are extremely reactive and short-lived. A small number (the diHalogen, halocarbenes, carbon monoxide, and carbon monosulfide) can be isolated, and can stabilize as Coordination complex, metal ligands, but otherwise cannot be stored in bulk. A rare exception are the persistent carbenes, which have extensive application in modern organometallic chemistry. Generatio ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Singlet State
In quantum mechanics, a singlet state usually refers to a system in which all electrons are paired. The term 'singlet' originally meant a linked set of particles whose net angular momentum is zero, that is, whose overall spin quantum number s=0. As a result, there is only one spectral line of a singlet state. In contrast, a doublet state contains one unpaired electron and shows splitting of spectral lines into a doublet, and a triplet state has two unpaired electrons and shows threefold splitting of spectral lines. History Singlets and the related Spin (physics), spin concepts of Doublet state, doublets and Triplet state, triplets occur frequently in atomic physics and nuclear physics, where one often needs to determine the total spin of a collection of particles. Since the only observed fundamental particle with zero spin is the extremely inaccessible Higgs boson, singlets in everyday physics are necessarily composed of sets of particles whose individual spins are non-zero, e.g. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Triplet State
In quantum mechanics, a triplet state, or spin triplet, is the quantum state of an object such as an electron, atom, or molecule, having a quantum spin ''S'' = 1. It has three allowed values of the spin's projection along a given axis ''m''S = −1, 0, or +1, giving the name "triplet". Spin, in the context of quantum mechanics, is not a mechanical rotation but a more abstract concept that characterizes a particle's intrinsic angular momentum. It is particularly important for systems at atomic length scales, such as individual atoms, protons, or electrons. A triplet state occurs in cases where the spins of two unpaired electrons, each having spin ''s'' = , align to give ''S'' = 1, in contrast to the more common case of two electrons aligning oppositely to give ''S'' = 0, a spin singlet. Most molecules encountered in daily life exist in a singlet state because all of their electrons are paired, but molecular oxygen is an exception. At room temperature, O2 exists in a triplet ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
The Journal Of Physical Chemistry
''The Journal of Physical Chemistry A'' is a scientific journal which reports research on the chemistry of molecules - including their dynamics, spectroscopy, kinetics, structure, bonding, and quantum chemistry. It is published weekly by the American Chemical Society. Before 1997 the title was simply ''Journal of Physical Chemistry''. Owing to the ever-growing amount of research in the area, in 1997 the journal was split into ''Journal of Physical Chemistry A'' (molecular theoretical and experimental physical chemistry) and '' The Journal of Physical Chemistry B'' (solid state, soft matter, liquids, etc.). Beginning in 2007, the latter underwent a further split, with '' The Journal of Physical Chemistry C'' now being dedicated to nanotechnology, molecular electronics, and related subjects. According to the ''Journal Citation Reports'', the journal have an impact factor of 2.7 for 2023. Editors-in-chief *1896–1932 Wilder Dwight Bancroft, Joseph E. Trevor *1933–1951 S. C. ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bond-dissociation Energy
The bond-dissociation energy (BDE, ''D''0, or ''DH°'') is one measure of the strength of a chemical bond . It can be defined as the standard enthalpy change when is cleaved by homolysis to give fragments A and B, which are usually radical species. The enthalpy change is temperature-dependent, and the bond-dissociation energy is often defined to be the enthalpy change of the homolysis at 0 K (absolute zero), although the enthalpy change at 298 K ( standard conditions) is also a frequently encountered parameter. As a typical example, the bond-dissociation energy for one of the C−H bonds in ethane () is defined as the standard enthalpy change of the process : , : ''DH''°298() = Δ''H°'' = 101.1(4) kcal/mol = 423.0 ± 1.7 kJ/mol = 4.40(2) eV (per bond). To convert a molar BDE to the energy needed to dissociate the bond ''per molecule'', the conversion factor 23.060 kcal/mol (96.485 kJ/mol) for each eV can be used. A variety of experim ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
