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Crystallographic Disorder
In X-ray crystallography, crystallographic disorder describes the cocrystallization of more than one rotamer, conformer, or isomer where the center of mass of each form is identical or unresolvable. Due to disorder, the crystallographic solution is the sum of the various forms. In many cases, the components of the disorder are equally abundant, and, in other cases, the weighting coefficients for each component differ. Disorder can entail a pair or several components, and usually arises when the forms are nearly equal in energy and the crystal lattice is sufficiently spacious to accommodate the various components. File:DOSBIW.png, Structure of pentamethylmolybdenum, , showing 4-fold disorder of one methyl group In organic chemistry, a methyl group is an alkyl derived from methane, containing one carbon atom bonded to three hydrogen atoms, having chemical formula (whereas normal methane has the formula ). In formulas, the group is often abbreviated a .... File:DOSBIWoneRot ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
X-ray Crystallography
X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to Diffraction, diffract in specific directions. By measuring the angles and intensities of the X-ray diffraction, a crystallography, crystallographer can produce a three-dimensional picture of the density of electrons within the crystal and the positions of the atoms, as well as their chemical bonds, crystallographic disorder, and other information. X-ray crystallography has been fundamental in the development of many scientific fields. In its first decades of use, this method determined the size of atoms, the lengths and types of chemical bonds, and the atomic-scale differences between various materials, especially minerals and alloys. The method has also revealed the structure and function of many biological molecules, including vitamins, drugs, proteins and nucleic acids such as DNA. X-ray crystall ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cocrystal
In materials science (specifically crystallography), cocrystals are "solids that are crystalline, single- phase materials composed of two or more different molecular or ionic compounds generally in a stoichiometric ratio which are neither solvates nor simple salts." A broader definition is that cocrystals "consist of two or more components that form a unique crystalline structure having unique properties." Several subclassifications of cocrystals exist. Cocrystals can encompass many types of compounds, including hydrates, solvates and clathrates, which represent the basic principle of host–guest chemistry. Hundreds of examples of cocrystallization are reported annually. History The first reported cocrystal, quinhydrone, was studied by Friedrich Wöhler in 1844. Quinhydrone is a cocrystal of quinone and hydroquinone (known archaically as quinol). He found that this material was made up of a 1:1 molar combination of the components. Quinhydrone was analyzed by numerous groups ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Rotamer
In chemistry, rotamers are chemical species that differ from one another primarily due to rotations about one or more single bonds. Various arrangements of atoms in a molecule that differ by rotation about single bonds can also be referred to as conformations. Conformers/rotamers differ little in their energies, so they are almost never separable in a practical sense. Rotations about single bonds are subject to small energy barriers. When the time scale for interconversion is long enough for isolation of individual rotamers (usually arbitrarily defined as a half-life of interconversion of 1000 seconds or longer), the species are termed atropisomers (''see:'' atropisomerism). The ring-flip of substituted cyclohexanes constitutes a common form of conformers. The study of the energetics of bond rotation is referred to as conformational analysis. In some cases, conformational analysis can be used to predict and explain product selectivity, mechanisms, and rates of reactions. Conform ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isomer
In chemistry, isomers are molecules or polyatomic ions with identical molecular formula – that is, the same number of atoms of each element (chemistry), element – but distinct arrangements of atoms in space. ''Isomerism'' refers to the existence or possibility of isomers. Isomers do not necessarily share similar chemical property, chemical or physical property, physical properties. Two main forms of isomerism are structural isomerism, structural (or constitutional) isomerism, in which ''chemical bond, bonds'' between the atoms differ; and stereoisomerism (or spatial isomerism), in which the bonds are the same but the ''relative positions'' of the atoms differ. Isomeric relationships form a hierarchy. Two chemicals might be the same constitutional isomer, but upon deeper analysis be stereoisomers of each other. Two molecules that are the same stereoisomer as each other might be in different conformational forms or be different Isotopologue, isotopologues. The depth of analy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Center Of Mass
In physics, the center of mass of a distribution of mass in space (sometimes referred to as the barycenter or balance point) is the unique point at any given time where the weight function, weighted relative position (vector), position of the distributed mass sums to zero. For a rigid body containing its center of mass, this is the point to which a force may be applied to cause a linear acceleration without an angular acceleration. Calculations in mechanics are often simplified when formulated with respect to the center of mass. It is a hypothetical point where the entire mass of an object may be assumed to be concentrated to visualise its motion. In other words, the center of mass is the particle equivalent of a given object for application of Newton's laws of motion. In the case of a single rigid body, the center of mass is fixed in relation to the body, and if the body has uniform density, it will be located at the centroid. The center of mass may be located outside the Phys ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Energy Level
A quantum mechanics, quantum mechanical system or particle that is bound state, bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical mechanics, classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the atomic nucleus, nucleus, but can also refer to energy levels of nuclei or molecular vibration, vibrational or rotational energy levels in molecules. The energy spectrum of a system with such discrete energy levels is said to be Quantization (physics), quantized. In chemistry and atomic physics, an electron shell, or principal energy level, may be thought of as the orbit of one or more electrons around an atom's atomic nucleus, nucleus. The closest shell to the nucleus is called the "1 shell" (also called "K shell"), followed by the "2 shell" (or "L shell"), ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystal Lattice
In crystallography, crystal structure is a description of ordered arrangement of atoms, ions, or molecules in a crystal, crystalline material. Ordered structures occur from intrinsic nature of constituent particles to form symmetric patterns that repeat along the principal directions of Three-dimensional space (mathematics), three-dimensional space in matter. The smallest group of particles in a material that constitutes this repeating pattern is the unit cell of the structure. The unit cell completely reflects the symmetry and structure of the entire crystal, which is built up by repetitive Translation (geometry), translation of the unit cell along its principal axes. The translation vectors define the nodes of the Bravais lattice. The lengths of principal axes/edges, of the unit cell and angles between them are lattice constants, also called ''lattice parameters'' or ''cell parameters''. The symmetry properties of a crystal are described by the concept of space groups. All possi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pentamethylmolybdenum
Pentamethylmolybdenum is an organomolybdenum compound containing five methyl groups bound to a central molybdenum atom. The shape of the molecule is a square pyramid. Production Pentamethylmolybdenum can be prepared from molybdenum pentachloride and dimethyl zinc at low temperature between −70 and −20. Another possible creation route, is from molybdenum oxychloride. Pentamethylmolybdenum is paramagnetic with one unpaired electron. The character of this electron is two thirds 4dz2 and one third 4dx2−y2. Properties Pentamethylmolybdenum is unstable and sensitive to oxygen. It turns black when exposed to air, or heated over −10°C. The Raman spectrum Raman spectroscopy () (named after physicist C. V. Raman) is a spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectro ... has bands at 1181, 960, 90, 882, 783, 672, 620, 565, 523, 507, 451, 366, 30 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Methyl Group
In organic chemistry, a methyl group is an alkyl derived from methane, containing one carbon atom bonded to three hydrogen atoms, having chemical formula (whereas normal methane has the formula ). In formulas, the group is often abbreviated as Me. This hydrocarbon group occurs in many organic compounds. It is a very stable group in most molecules. While the methyl group is usually part of a larger molecule, bonded to the rest of the molecule by a single covalent bond (), it can be found on its own in any of three forms: methanide anion (), methylium cation () or methyl radical (). The anion has eight valence electrons, the radical seven and the cation six. All three forms are highly reactive and rarely observed. Methyl cation, anion, and radical Methyl cation The methylium cation () exists in the gas phase, but is otherwise not encountered. Some compounds are considered to be sources of the cation, and this simplification is used pervasively in organic chemistry. For ex ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystallography
Crystallography is the branch of science devoted to the study of molecular and crystalline structure and properties. The word ''crystallography'' is derived from the Ancient Greek word (; "clear ice, rock-crystal"), and (; "to write"). In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming 2014 the International Year of Crystallography.UN announcement "International Year of Crystallography" iycr2014.org. 12 July 2012 Crystallography is a broad topic, and many of its subareas, such as X-ray crystallography, are themselves important scientific topics. Crystallography ranges from the fundamentals of crystal structure to the mathematics of Crystal system, crystal geometry, including those that are Aperiodic crystal, not periodic or quasi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Materials Science
Materials science is an interdisciplinary field of researching and discovering materials. Materials engineering is an engineering field of finding uses for materials in other fields and industries. The intellectual origins of materials science stem from the Age of Enlightenment, when researchers began to use analytical thinking from chemistry, physics, and engineering to understand ancient, phenomenological observations in metallurgy and mineralogy. Materials science still incorporates elements of physics, chemistry, and engineering. As such, the field was long considered by academic institutions as a sub-field of these related fields. Beginning in the 1940s, materials science began to be more widely recognized as a specific and distinct field of science and engineering, and major technical universities around the world created dedicated schools for its study. Materials scientists emphasize understanding how the history of a material (''processing'') influences its struc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
