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Hybridization Theory
In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new ''hybrid orbitals'' (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory. For example, in a carbon atom which forms four single bonds the valence-shell s orbital combines with three valence-shell p orbitals to form four equivalent sp3 mixtures in a Tetrahedral molecular geometry, tetrahedral arrangement around the carbon to bond to four different atoms. Hybrid orbitals are useful in the explanation of molecular geometry and atomic bonding properties and are symmetrically disposed in space. Usually hybrid orbitals are formed by mixing atomic orbitals of comparable energies. History and uses Chemist Linus Pauling first developed the hybridisation theory in 1931 to explain the structure of simple molecules such as methane (CH4) using atomic orbitals. Pauling pointed out ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbon
Carbon () is a chemical element with the symbol C and atomic number 6. It is nonmetallic and tetravalent In chemistry, the valence (US spelling) or valency (British spelling) of an element is the measure of its combining capacity with other atoms when it forms chemical compounds or molecules. Description The combining capacity, or affinity of an ...—its atom making four electrons available to form covalent bond, covalent chemical bonds. It belongs to group 14 of the periodic table. Carbon makes up only about 0.025 percent of Earth's crust. Three Isotopes of carbon, isotopes occur naturally, Carbon-12, C and Carbon-13, C being stable, while Carbon-14, C is a radionuclide, decaying with a half-life of about 5,730 years. Carbon is one of the Timeline of chemical element discoveries#Ancient discoveries, few elements known since antiquity. Carbon is the 15th Abundance of elements in Earth's crust, most abundant element in the Earth's crust, and the Abundance of the c ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Methylene (compound)
Methylene (systematically named methylidene and dihydridocarbon; also called carbene) is an organic compound with the chemical formula (also written ). It is a colourless gas that fluoresces in the mid-infrared range, and only persists in dilution, or as an adduct. Methylene is the simplest carbene.Roald Hoffman (2005), ''Molecular Orbitals of Transition Metal Complexes''. Oxford. It is usually detected only at very low temperatures, or as a short-lived intermediate in chemical reactions. W. B. DeMore and S. W. Benson (1964), Preparation, properties, and reactivity of methylene'. In ''Advances in Photochemistry'', John Wiley & Sons, 453 pages. Nomenclature The trivial name ''carbene'' is the preferred IUPAC name. The systematic names ''methylidene'' and ''dihydridocarbon'', valid IUPAC names, are constructed according to the substitutive and additive nomenclatures, respectively. ''Methylidene'' is viewed as methane with two hydrogen atoms removed. By default, this name ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Methylene (compound)
Methylene (systematically named methylidene and dihydridocarbon; also called carbene) is an organic compound with the chemical formula (also written ). It is a colourless gas that fluoresces in the mid-infrared range, and only persists in dilution, or as an adduct. Methylene is the simplest carbene.Roald Hoffman (2005), ''Molecular Orbitals of Transition Metal Complexes''. Oxford. It is usually detected only at very low temperatures, or as a short-lived intermediate in chemical reactions. W. B. DeMore and S. W. Benson (1964), Preparation, properties, and reactivity of methylene'. In ''Advances in Photochemistry'', John Wiley & Sons, 453 pages. Nomenclature The trivial name ''carbene'' is the preferred IUPAC name. The systematic names ''methylidene'' and ''dihydridocarbon'', valid IUPAC names, are constructed according to the substitutive and additive nomenclatures, respectively. ''Methylidene'' is viewed as methane with two hydrogen atoms removed. By default, this name ... [...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 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, the parent hydride from which all other carbene compounds are formally derived. Carbenes are classified as either singlets or triplets, depending upon their electronic structure. Most carbenes are very short lived, although persistent carbenes are known. One well-studied carbene is dichlorocarbene , which can be generated ''in situ'' from chloroform and a strong base. Structures and bonding The two classes of carbenes are singlet and triplet carbenes. Singlet carbenes are spin-paired. In the language of valence bond theory, the molecule adopts an sp2 hybrid structure. Triplet carbenes have two unpaired electrons. Most carbenes have a nonlinear triplet ground state, e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Covalent Bond
A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atoms, when they share electrons, is known as covalent bonding. For many molecules, the sharing of electrons allows each atom to attain the equivalent of a full valence shell, corresponding to a stable electronic configuration. In organic chemistry, covalent bonding is much more common than ionic bonding. Covalent bonding also includes many kinds of interactions, including σ-bonding, π-bonding, metal-to-metal bonding, agostic interactions, bent bonds, three-center two-electron bonds and three-center four-electron bonds. The term ''covalent bond'' dates from 1939. The prefix ''co-'' means ''jointly, associated in action, partnered to a lesser degree, '' etc.; thus a "co-valent bond", in essence, means that the atoms share " valence", such a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ground State
The ground state of a quantum-mechanical system is its stationary state of lowest energy; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state. In quantum field theory, the ground state is usually called the vacuum state or the vacuum. If more than one ground state exists, they are said to be degenerate. Many systems have degenerate ground states. Degeneracy occurs whenever there exists a unitary operator that acts non-trivially on a ground state and commutes with the Hamiltonian of the system. According to the third law of thermodynamics, a system at absolute zero temperature exists in its ground state; thus, its entropy is determined by the degeneracy of the ground state. Many systems, such as a perfect crystal lattice, have a unique ground state and therefore have zero entropy at absolute zero. It is also possible for the highest excited state to have absolute zero temper ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Density
In quantum chemistry, electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either \rho(\textbf r) or n(\textbf r). The density is determined, through definition, by the normalised N-electron wavefunction which itself depends upon 4N variables (3N spatial and N spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory. According to quantum mechanics, due to the uncertainty principle on an atomic scale the exact location of an electron cannot be predicted, only the probability of its being at a given position; therefore electrons in atoms and molecules act as if they are "smeared out" in space. For one-electron systems, the electron density at any point is proportional to th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Square Root Of 3
The square root of 3 is the positive real number that, when multiplied by itself, gives the number 3. It is denoted mathematically as \sqrt or 3^. It is more precisely called the principal square root of 3 to distinguish it from the negative number with the same property. The square root of 3 is an irrational number. It is also known as Theodorus' constant, after Theodorus of Cyrene, who proved its irrationality. , its numerical value in decimal notation had been computed to at least ten billion digits. Its decimal expansion, written here to 65 decimal places, is given by : : The fraction \frac (...) can be used as a good approximation. Despite having a denominator of only 56, it differs from the correct value by less than \frac (approximately 9.2\times 10^, with a relative error of 5\times 10^). The rounded value of is correct to within 0.01% of the actual value. The fraction \frac (...) is accurate to 1\times 10^. Archimedes reported a range for its value: (\frac)^>3>(\f ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Sigma Bond
In chemistry, sigma bonds (σ bonds) are the strongest type of covalent chemical bond. They are formed by head-on overlapping between atomic orbitals. Sigma bonding is most simply defined for diatomic molecules using the language and tools of symmetry groups. In this formal approach, a σ-bond is symmetrical with respect to rotation about the bond axis. By this definition, common forms of sigma bonds are s+s, pz+pz, s+pz and dz2+dz2 (where z is defined as the axis of the bond or the internuclear axis). Quantum theory also indicates that molecular orbitals (MO) of identical symmetry actually mix or ''hybridize''. As a practical consequence of this mixing of diatomic molecules, the wavefunctions s+s and pz+pz molecular orbitals become blended. The extent of this mixing (or hybridization or blending) depends on the relative energies of the MOs of like symmetry. For homodiatomics (homonuclear diatomic molecules), bonding σ orbitals have no nodal planes at which the wavefunction i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Normalization Constant
The concept of a normalizing constant arises in probability theory and a variety of other areas of mathematics. The normalizing constant is used to reduce any probability function to a probability density function with total probability of one. Definition In probability theory, a normalizing constant is a constant by which an everywhere non-negative function must be multiplied so the area under its graph is 1, e.g., to make it a probability density function or a probability mass function. Examples If we start from the simple Gaussian function p(x)=e^, \quad x\in(-\infty,\infty) we have the corresponding Gaussian integral \int_^\infty p(x) \, dx = \int_^\infty e^ \, dx = \sqrt, Now if we use the latter's reciprocal value as a normalizing constant for the former, defining a function \varphi(x) as \varphi(x) = \frac p(x) = \frac e^ so that its integral is unit \int_^\infty \varphi(x) \, dx = \int_^\infty \frac e^ \, dx = 1 then the function \varphi(x) is a probability d ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
