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Pi Electron Donor-acceptor
The pEDA parameter (pi electron donor-acceptor) is a pi-electron substituent effect scale, described also as mesomeric or resonance effect. There is also a complementary scale - sEDA. The more positive is the value of pEDA the more pi-electron donating is a substituent. The more negative pEDA, the more pi-electron withdrawing is the substituent (see the table below). The pEDA parameter for a given substituent is calculated by means of quantum chemistry methods. The model molecule is the monosubstituted benzene. First the geometry should be optimized at a suitable model of theory, then the natural population analysis within the framework of Natural Bond Orbital theory is performed. The molecule have to be oriented in such a way that the aromatic benzene ring is perpendicular to the z-axis. Then, the 2pz orbital occupations of ring carbon atoms are summed up to give the total pi- occupation. From this value the sum of pi-occupation for unsubstituted benzene (value close to 6 in a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pi-electron
In chemistry, pi bonds (π bonds) are covalent chemical bonds, in each of which two lobes of an orbital on one atom overlap with two lobes of an orbital on another atom, and in which this overlap occurs laterally. Each of these atomic orbitals has an electron density of zero at a shared nodal plane that passes through the two bonded nuclei. This plane also is a nodal plane for the molecular orbital of the pi bond. Pi bonds can form in double and triple bonds but do not form in single bonds in most cases. The Greek letter π in their name refers to p orbitals, since the orbital symmetry of the pi bond is the same as that of the p orbital when seen down the bond axis. One common form of this sort of bonding involves p orbitals themselves, though d orbitals also engage in pi bonding. This latter mode forms part of the basis for metal-metal multiple bonding. Pi bonds are usually weaker than sigma bonds. The C-C double bond, composed of one sigma and one pi bond, has a bo ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hydroxyl
In chemistry, a hydroxy or hydroxyl group is a functional group with the chemical formula and composed of one oxygen atom covalently bonded to one hydrogen atom. In organic chemistry, alcohols and carboxylic acids contain one or more hydroxy groups. Both the negatively charged anion , called hydroxide, and the neutral radical , known as the hydroxyl radical, consist of an unbonded hydroxy group. According to IUPAC definitions, the term ''hydroxyl'' refers to the hydroxyl radical () only, while the functional group is called a ''hydroxy group''. Properties Water, alcohols, carboxylic acids, and many other hydroxy-containing compounds can be readily deprotonated due to a large difference between the electronegativity of oxygen (3.5) and that of hydrogen (2.1). Hydroxy-containing compounds engage in intermolecular hydrogen bonding increasing the electrostatic attraction between molecules and thus to higher boiling and melting points than found for compounds that lack this f ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Bond Properties
A chemical substance is a form of matter having constant chemical composition and characteristic properties. Some references add that chemical substance cannot be separated into its constituent elements by physical separation methods, i.e., without breaking chemical bonds. Chemical substances can be simple substances (substances consisting of a single chemical element), chemical compounds, or alloys. Chemical substances are often called 'pure' to set them apart from mixtures. A common example of a chemical substance is pure water; it has the same properties and the same ratio of hydrogen to oxygen whether it is isolated from a river or made in a laboratory. Other chemical substances commonly encountered in pure form are diamond (carbon), gold, table salt (sodium chloride) and refined sugar (sucrose). However, in practice, no substance is entirely pure, and chemical purity is specified according to the intended use of the chemical. Chemical substances exist as solids, liquids, g ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Organochloride
An organochloride, organochlorine compound, chlorocarbon, or chlorinated hydrocarbon is an organic compound containing at least one covalent bond, covalently bonded atom of chlorine. The chloroalkane class (alkanes with one or more hydrogens substituted by chlorine) provides common examples. The wide structural variety and divergent chemical properties of organochlorides lead to a broad range of names, applications, and properties. Organochlorine compounds have wide use in many applications, though some are of profound environmental concern, with 2,3,7,8-Tetrachlorodibenzodioxin, TCDD being one of the most notorious. Physical and chemical properties Chlorination reaction, Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular dam ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Jan Cz
Jan, JaN or JAN may refer to: Acronyms * Jackson, Mississippi (Amtrak station), US, Amtrak station code JAN * Jackson-Evers International Airport, Mississippi, US, IATA code * Jabhat al-Nusra (JaN), a Syrian militant group * Japanese Article Number, a barcode standard compatible with EAN * Japanese Accepted Name, a Japanese nonproprietary drug name * Job Accommodation Network, US, for people with disabilities * ''Joint Army-Navy'', US standards for electronic color codes, etc. * ''Journal of Advanced Nursing'' Personal name * Jan (name), male variant of ''John'', female shortened form of ''Janet'' and ''Janice'' * Jan (Persian name), Persian word meaning 'life', 'soul', 'dear'; also used as a name * Ran (surname), romanized from Mandarin as Jan in Wade–Giles * Ján, Slovak name Other uses * January, as an abbreviation for the first month of the year in the Gregorian calendar * Jan (cards), a term in some card games when a player loses without taking any tricks or scoring a mini ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wojciech P
Wojciech () is a Polish name, equivalent to Czech Vojtěch , Slovak Vojtech, and German Woitke. The name is formed from two components in archaic Polish: * ''wój'' (Slavic: ''voj''), a root pertaining to war. It also forms words like ''wojownik'' ("warrior") and ''wojna'' ("war"). * ''ciech'' (from an earlier form, ''tech''), meaning "joy". The resulting combination means "he who enjoys war" or "joyous warrior". Its Polish diminutive forms include ''Wojtek'' , ''Wojtuś'' , ''Wojtas'', ''Wojcio'', ''Wojteczek'', ''Wojcieszek'', ''Wojtaszka'', ''Wojtaszek'', ''Wojan'' (noted already in 1136), ''Wojko'', and variants noted as early as 1400, including ''Woytko'', ''Woythko'', and ''Voytko''. The feminine form is Wojciecha (). Related names in South Slavic languages include ''Vojko'', ''Vojislav'', and ''Vojteh''. The name has been rendered into German in several different variations, including: ''Woitke'', ''Witke'', ''Voitke'', ''Voytke'', ''Woytke'', ''Vogtke'', ''Woytegk'', ''W ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nitrile
In organic chemistry, a nitrile is any organic compound that has a functional group. The prefix ''cyano-'' is used interchangeably with the term ''nitrile'' in industrial literature. Nitriles are found in many useful compounds, including methyl cyanoacrylate, used in super glue, and nitrile rubber, a nitrile-containing polymer used in latex-free laboratory and medical gloves. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Organic compounds containing multiple nitrile groups are known as cyanocarbons. Inorganic compounds containing the group are not called nitriles, but cyanides instead. Though both nitriles and cyanides can be derived from cyanide salts, most nitriles are not nearly as toxic. Structure and basic properties The N−C−C geometry is linear in nitriles, reflecting the sp hybridization of the triply bonded carbon. The C−N distance is short at 1.16 Å, consistent with a triple bond. Nitriles a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Borohydride
Borohydride refers to the anion , which is also called tetrahydroborate, and its salts. Borohydride or hydroborate is also the term used for compounds containing , where ''n'' is an integer from 0 to 3, for example cyanoborohydride or cyanotrihydroborate and triethylborohydride or triethylhydroborate . Borohydrides find wide use as reducing agents in organic synthesis. The most important borohydrides are lithium borohydride and sodium borohydride, but other salts are well known (see Table). Tetrahydroborates are also of academic and industrial interest in inorganic chemistry. History Alkali metal borohydrides were first described in 1940 by Hermann Irving Schlesinger and Herbert C. Brown. They synthesized lithium borohydride from diborane : :, where M = Li, Na, K, Rb, Cs, etc. Current methods involve reduction of trimethyl borate with sodium hydride. Structure In the borohydride anion and most of its modifications, boron has a tetrahedral structure. The reactivity of the B−H ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
-NO2
In organic chemistry, nitro compounds are organic compounds that contain one or more nitro functional groups (). The nitro group is one of the most common explosophores (functional group that makes a compound explosive) used globally. The nitro group is also strongly electron-withdrawing. Because of this property, bonds alpha (adjacent) to the nitro group can be acidic. For similar reasons, the presence of nitro groups in aromatic compounds retards electrophilic aromatic substitution but facilitates nucleophilic aromatic substitution. Nitro groups are rarely found in nature. They are almost invariably produced by nitration reactions starting with nitric acid. Synthesis Preparation of aromatic nitro compounds Aromatic nitro compounds are typically synthesized by nitration. Nitration is achieved using a mixture of nitric acid and sulfuric acid, which produce the nitronium ion (), which is the electrophile: + The nitration product produced on the lar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Organic Fluoride
Organofluorine chemistry describes the chemistry of the organofluorines, organic compounds that contain the carbon–fluorine bond. Organofluorine compounds find diverse applications ranging from oil and water repellents to pharmaceuticals, refrigerants, and reagents in catalysis. In addition to these applications, some organofluorine compounds are pollutants because of their contributions to ozone depletion, global warming, bioaccumulation, and toxicity. The area of organofluorine chemistry often requires special techniques associated with the handling of fluorinating agents. The carbon–fluorine bond Fluorine has several distinctive differences from all other substituents encountered in organic molecules. As a result, the physical and chemical properties of organofluorines can be distinctive in comparison to other organohalogens. # The carbon–fluorine bond is one of the strongest in organic chemistry (an average bond energy around 480 kJ/molKirsch, Peer ''Modern fluoroorga ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
-NH2
In chemistry, amines (, ) are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines). Important amines include amino acids, biogenic amines, trimethylamine, and aniline; Inorganic derivatives of ammonia are also called amines, such as monochloramine (). The substituent is called an amino group. Compounds with a nitrogen atom attached to a carbonyl group, thus having the structure , are called amides and have different chemical properties from amines. Classification of amines Amines can be classified according to the nature and number of substituents on nitrogen. Aliphatic amines contain only H and alkyl substituents. Aromatic a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Mesomeric
Mesomeric Effect in Organic Chemistry The Mesomeric Effect The mesomeric effect (or resonance effect) in chemistry is a property of substituents or functional groups in a chemical compound. It is defined as the polarity produced in the molecule by the interaction of two pi bonds or between a pi bond and lone pair of electrons present on an adjacent atom. This change in electron arrangement results in the formation of resonance structures that hybridize into the molecules true structure. The pi electrons then move away from or toward a particular substituent group. The mesomeric effect is stronger in compounds with a lower ionization potential. This is because the electron transfer states will have lower energies. Representations of the Mesomeric Effect The effect is used in a qualitative way and describes the electron withdrawing or releasing properties of substituents based on relevant resonance structures and is symbolized by the letter M. The mesomeric effect is negativ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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