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Planar Molecular Geometry
In chemistry, trigonal planar is a molecular geometry model with one atom at the center and three atoms at the corners of an equilateral triangle, called peripheral atoms, all in one plane. In an ideal trigonal planar species, all three ligands are identical and all bond angles are 120°. Such species belong to the point group D3h. Molecules where the three ligands are not identical, such as H2CO, deviate from this idealized geometry. Examples of molecules with trigonal planar geometry include boron trifluoride (BF3), formaldehyde (H2CO), phosgene (COCl2), and sulfur trioxide (SO3). Some ions with trigonal planar geometry include nitrate (), carbonate (), and guanidinium (). In organic chemistry, planar, three-connected carbon centers that are trigonal planar are often described as having sp2 hybridization. Nitrogen inversion is the distortion of pyramidal amines through a transition state that is trigonal planar. Pyramidalization is a distortion of this molecular shape toward ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dihedral Symmetry In Three Dimensions
In geometry, dihedral symmetry in three dimensions is one of three infinite sequences of point groups in three dimensions which have a symmetry group that as an abstract group is a dihedral group Dih''n'' (for ''n'' ≥ 2). Types There are 3 types of dihedral symmetry in three dimensions, each shown below in 3 notations: Schönflies notation, Coxeter notation, and orbifold notation. ;Chiral: *''Dn'', [''n'',2]+, (22''n'') of order 2''n'' – dihedral symmetry or para-n-gonal group (abstract group: Dihedral group, ''Dihn''). ;Achiral: *''Dnh'', [''n'',2], (*22''n'') of order 4''n'' – prismatic symmetry or full ortho-n-gonal group (abstract group: ''Dihn'' × ''Z''2). *''Dnd'' (or ''Dnv''), [2''n'',2+], (2*''n'') of order 4''n'' – antiprismatic symmetry or full gyro-n-gonal group (abstract group: ''Dih''2''n''). For a given ''n'', all three have ''n''-fold rotational symmetry about one axis (rotation by an angle of 360°/''n'' does not change the object), and 2-fold ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nitrate
Nitrate is a polyatomic ion with the chemical formula . salt (chemistry), Salts containing this ion are called nitrates. Nitrates are common components of fertilizers and explosives. Almost all inorganic nitrates are solubility, soluble in water. An example of an insoluble nitrate is bismuth oxynitrate. Chemical structure The nitrate anion is the conjugate acid, conjugate base of nitric acid, consisting of one central nitrogen atom surrounded by three identically bonded oxygen atoms in a trigonal planar arrangement. The nitrate ion carries a formal charge of −1. This charge results from a combination formal charge in which each of the three oxygens carries a − charge, whereas the nitrogen carries a +1 charge, all these adding up to formal charge of the polyatomic nitrate ion. This arrangement is commonly used as an example of Resonance (chemistry), resonance. Like the isoelectronic carbonate ion, the nitrate ion can be represented by three resonance structures: Che ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Geometry
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom. Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. The angles between bonds that an atom forms depend only weakly on the rest of a molecule, i.e. they can be understood as approximately local and hence transferable properties. Determination The molecular geometry can be determined by various spectroscopic methods and diffraction methods. IR, microwave and Raman spectroscopy can give information about the molecule geometry from the details of the vibrational and rotational absorbance detected by these techniques. X-ray crystallography, neutron diffraction and electron diffraction can g ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
AXE Method
Valence shell electron pair repulsion (VSEPR) theory ( , ) is a conceptual model, model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gillespie-Nyholm theory after its two main developers, Ronald Gillespie and Ronald Sydney Nyholm, Ronald Nyholm. The premise of VSEPR is that the valence electron pairs surrounding an atom tend to repel each other. The greater the repulsion, the higher in energy (less stable) the molecule is. Therefore, the VSEPR-predicted molecular geometry of a molecule is the one that has as little of this repulsion as possible. Gillespie has emphasized that the electron-electron repulsion due to the Pauli exclusion principle is more important in determining molecular geometry than the electrostatic repulsion. The insights of VSEPR theory are derived from topological analysis of the electron density of molecules. Such quantum chemical topology (QCT) metho ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pyramidal Alkene
Pyramidal alkenes are alkenes in which the two carbon atoms making up the double bond are not coplanar with their four substituents. This deformation results from geometric constraints. Pyramidal alkenes are of interest because much can be learned from them about the nature of chemical bonding. Energetics Twisting to a 90° dihedral angle between two of the groups on the carbons requires less energy than the strength of a pi bond, and the bond still holds. The carbons of the double bond become pyramidal, which allows preserving some p orbital alignment—and hence pi bonding. The other two attached groups remain at a larger dihedral angle. This contradicts a common textbook assertion that the two carbons retain their planar nature when twisting, in which case the p orbitals would rotate enough away from each other to be unable to sustain a pi bond. In a 90°-twisted alkene, the p orbitals are only misaligned by 42° and the strain energy is only around 40 kcal/mol. In contrast, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tetrahedral Molecular Geometry
In a tetrahedral molecular geometry, a central atom is located at the center with four substituents that are located at the corners of a tetrahedron. The bond angles are arccos(−) = 109.4712206...° ≈ 109.5° when all four substituents are the same, as in methane () as well as its heavier analogues. Methane and other perfectly symmetrical tetrahedral molecules belong to point group ''Td'', but most tetrahedral molecules have lower symmetry. Tetrahedral molecules can be chiral. Tetrahedral bond angle The bond angle for a symmetric tetrahedral molecule such as CH4 may be calculated using the dot product of two vectors. As shown in the diagram at left, the molecule can be inscribed in a cube with the tetravalent atom (e.g. carbon) at the cube centre which is the origin of coordinates, O. The four monovalent atoms (e.g. hydrogens) are at four corners of the cube (A, B, C, D) chosen so that no two atoms are at adjacent corners linked by only one cube edge. If the edge len ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Amine
In chemistry, amines (, ) are organic compounds that contain carbon-nitrogen bonds. Amines are formed when one or more hydrogen atoms in ammonia are replaced by alkyl or aryl groups. The nitrogen atom in an amine possesses a lone pair of electrons. Amines can also exist as hetero cyclic compounds. Aniline is the simplest aromatic amine, consisting of a benzene ring bonded to an amino group. Amines are classified into three types: primary (1°), secondary (2°), and tertiary (3°) amines. Primary amines (1°) contain one alkyl or aryl substituent and have the general formula RNH2. Secondary amines (2°) have two alkyl or aryl groups attached to the nitrogen atom, with the general formula R2NH. Tertiary amines (3°) contain three substituent groups bonded to the nitrogen atom, and are represented by the formula R3N. The functional group present in primary amines is called the amino group. Classification of amines Amines can be classified according to the nature and number o ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nitrogen Inversion
In chemistry, pyramidal inversion (also umbrella inversion) is a fluxional process in compounds with a pyramidal molecule, such as ammonia (NH3) "turns inside out". It is a rapid oscillation of the atom and substituents, the molecule or ion passing through a planar transition state. For a compound that would otherwise be chiral due to a stereocenter, pyramidal inversion allows its enantiomers to racemize. The general phenomenon of pyramidal inversion applies to many types of molecules, including carbanions, amines, phosphines, arsines, stibines, and sulfoxides. Energy barrier The identity of the inverting atom has a dominating influence on the barrier. Inversion of ammonia is rapid at room temperature, inverting 30 billion times per second. Three factors contribute to the rapidity of the inversion: a low energy barrier (24.2 kJ/mol; 5.8 kcal/mol), a narrow barrier width (distance between geometries), and the low mass of hydrogen atoms, which combine to give a furth ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Orbital Hybridisation
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 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 that a carbon atom forms four ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Guanidine
Guanidine is the compound with the formula HNC(NH2)2. It is a colourless solid that dissolves in polar solvents. It is a strong base that is used in the production of plastics and explosives. It is found in urine predominantly in patients experiencing renal failure. A guanidine moiety also appears in larger organic molecules, including on the side chain of arginine. Structure Guanidine can be thought of as a nitrogenous analogue of carbonic acid. That is, the C=O group in carbonic acid is replaced by a C=NH group, and each OH is replaced by a group. A detailed crystallographic analysis of guanidine was elucidated 148 years after its first synthesis, despite the simplicity of the molecule. In 2013, the positions of the hydrogen atoms and their displacement parameters were accurately determined using single-crystal neutron diffraction. Production Guanidine can be obtained from natural sources, being first isolated in 1861 by Adolph Strecker via the oxidative degradation of an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbonate
A carbonate is a salt of carbonic acid, (), characterized by the presence of the carbonate ion, a polyatomic ion with the formula . The word "carbonate" may also refer to a carbonate ester, an organic compound containing the carbonate group . The term is also used as a verb, to describe carbonation: the process of raising the concentrations of carbonate and bicarbonate ions in water to produce carbonated water and other carbonated beverageseither by the addition of carbon dioxide gas under pressure or by dissolving carbonate or bicarbonate salts into the water. In geology and mineralogy, the term "carbonate" can refer both to carbonate minerals and carbonate rock (which is made of chiefly carbonate minerals), and both are dominated by the carbonate ion, . Carbonate minerals are extremely varied and ubiquitous in chemically precipitated sedimentary rock. The most common are calcite or calcium carbonate, , the chief constituent of limestone (as well as the main component of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Phosgene
Phosgene is an organic chemical compound with the formula . It is a toxic, colorless gas; in low concentrations, its musty odor resembles that of freshly cut hay or grass. It can be thought of chemically as the double acyl chloride analog of carbonic acid, or structurally as formaldehyde with the hydrogen atoms replaced by chlorine atoms. In 2013, about 75–80 % of global phosgene was consumed for isocyanates, 18% for polycarbonates and about 5% for other fine chemicals. Phosgene is extremely poisonous and was used as a chemical weapon during World War I, where it was responsible for 85,000 deaths. It is a highly potent pulmonary irritant and quickly filled enemy trenches due to it being a heavy gas. It is classified as a Schedule 3 substance under the Chemical Weapons Convention. In addition to its industrial production, small amounts occur from the breakdown and the combustion of organochlorine compounds, such as chloroform. Structure and basic properties Phosgene ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
