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Electride 01
An electride is an ionic compound in which an electron serves the role of the anion. Solutions Solutions of alkali metals in ammonia are electride salts. In the case of sodium, these blue solutions consist of a(NH3)6sup>+ and solvated electrons: :Na + 6 NH3 → a(NH3)6sup>+ + e− The cation a(NH3)6sup>+ is an octahedral coordination complex. Despite the name, the electron does not leave the sodium-ammonia complex, but it is transferred from Na to the vacant orbitals of the coordinated ammonia molecules. Similar solutions exist in hexamethylphosphoramide. Solid salts Many "inorganic electrides" have been described. Addition of a complexant like crown ether or .2.2cryptand to a solution of a(NH3)6sup>+e− affords a (crown ether)sup>+e− or a(2,2,2-crypt)sup>+e−. Evaporation of these solutions yields a blue-black paramagnetic solid with the formula a(2,2,2-crypt)sup>+e−. Most solid electride salts decompose above 240 K, although a24Al28O64sup>4+(e� ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
HOMO And LUMO
In chemistry, HOMO and LUMO are types of molecular orbitals. The acronyms stand for ''highest occupied molecular orbital'' and ''lowest unoccupied molecular orbital'', respectively. HOMO and LUMO are sometimes collectively called the ''frontier orbitals'', such as in the frontier molecular orbital theory. Gap The energy difference between the HOMO and LUMO is ''the HOMO–LUMO gap''. Its size can be used to predict the strength and stability of transition metal complexes, as well as the colors they produce in solution. As a rule of thumb, the smaller a compound's HOMO–LUMO gap, the less stable the compound. Recent quantum‐chemical analyses of over 700 compounds demonstrated that terrestrial secondary metabolites exhibit HOMO–LUMO gaps on average about 2 eV narrower than organic molecules found in carbonaceous meteorites, and that combining gap width with hydrophilicity creates a robust discriminator between biotic and abiotic chemistries. This suggests that the HOMO–LUM ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Salts
In chemistry, a salt or ionic compound is a chemical compound consisting of an assembly of positively charged ions ( cations) and negatively charged ions (anions), which results in a compound with no net electric charge (electrically neutral). The constituent ions are held together by electrostatic forces termed ionic bonds. The component ions in a salt can be either inorganic, such as chloride (Cl−), or organic, such as acetate (). Each ion can be either monatomic, such as sodium (Na+) and chloride (Cl−) in sodium chloride, or polyatomic, such as ammonium () and carbonate () ions in ammonium carbonate. Salts containing basic ions hydroxide (OH−) or oxide (O2−) are classified as bases, such as sodium hydroxide and potassium oxide. Individual ions within a salt usually have multiple near neighbours, so they are not considered to be part of molecules, but instead part of a continuous three-dimensional network. Salts usually form crystalline structures when solid. Sa ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
F-center
An F-center or color center or Farbe center (from the original German ''Farbzentrum'', where ''Farbe'' means ''color'' and ''zentrum'' means ''center'') is a type of crystallographic defect in which an anionic Vacancy defect, vacancy in a crystal lattice is occupied by one or more unpaired electrons. Electrons in such a vacancy in a crystal lattice tend to absorb light in the visible spectrum such that a material that is usually Transparency (optics), transparent becomes colored. The greater the number of F centers, the more intense the color of the compound. F centers are a type of color center. This is used to identify many compounds, especially zinc oxide (yellow). History Before the discovery of point defects it was already known that some crystals can be discolored using various methods. In 1830 T.J. Pearsall discovered that fluorspar could be discolored using violet light. Thirty years later similar results were achieved by melting crystals together with a specific metal. In ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Single-layer Materials
In materials science, the term single-layer materials or 2D materials refers to crystalline solids consisting of a single layer of atoms. These materials are promising for some applications but remain the focus of research. Single-layer materials derived from single elements generally carry the -ene suffix in their names, e.g. graphene. Single-layer materials that are compounds of two or more elements have -ane or -ide suffixes. 2D materials can generally be categorized as either 2D allotropes of various elements or as compounds (consisting of two or more covalently bonding elements). It is predicted that there are hundreds of stable single-layer materials. The atomic structure and calculated basic properties of these and many other potentially synthesisable single-layer materials, can be found in computational databases. 2D materials can be produced using mainly two approaches: top-down exfoliation and bottom-up synthesis. The exfoliation methods include sonication, mechanical, h ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dielectric Polarization
In electromagnetism, a dielectric (or dielectric medium) is an electrical insulator that can be polarised by an applied electric field. When a dielectric material is placed in an electric field, electric charges do not flow through the material as they do in an electrical conductor, because they have no loosely bound, or free, electrons that may drift through the material, but instead they shift, only slightly, from their average equilibrium positions, causing dielectric polarisation. Because of dielectric polarisation, positive charges are displaced in the direction of the field and negative charges shift in the direction opposite to the field. This creates an internal electric field that reduces the overall field within the dielectric itself. If a dielectric is composed of weakly bonded molecules, those molecules not only become polarised, but also reorient so that their symmetry axes align to the field. The study of dielectric properties concerns storage and dissipation of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Disodium Helide
Disodium helide (Na2He) is a compound of helium and sodium that is stable at high pressures above . It was first predicted using the USPEX crystal structure prediction algorithm and then synthesised in 2016. Synthesis Na2He was predicted to be thermodynamically stable over 160 GPa and dynamically stable over 100 GPa. This means it should be possible to form at the higher pressure and then decompress to 100 GPa, but below that it would decompose. Compared with other binary compounds of other elements and helium, it was predicted to be stable at the lowest pressure of any such combination. This also means, for example, that a helium-potassium compound is predicted to require much higher pressures of the order of terapascals. The material was synthesized by putting tiny plates of sodium in a diamond anvil cell along with helium at 1600 bar and then compressing to 130 GPa and heating to 1,500 K with a laser. Disodium helide is predicted to be an insulator and ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Scientific Reports
''Scientific Reports'' is a peer-reviewed open-access scientific mega journal published by Nature Portfolio, covering all areas of the natural sciences. The journal was established in 2011. The journal states that their aim is to assess solely the scientific validity of a submitted paper, rather than its perceived importance, significance, or impact. In September 2016, the journal became the largest in the world by number of articles, overtaking '' PLOS ONE''. Abstracting and indexing The journal is abstracted and indexed in the Chemical Abstracts Service, the Science Citation Index Expanded, and selectively in Index Medicus/MEDLINE/PubMed. According to the ''Journal Citation Reports'', the journal has a 2023 impact factor 3.8. Reviewing policy The ''Guide to Referees'' states that to be published, "a paper must be scientifically valid and technically sound in methodology and analysis", and reviewers have to ensure manuscripts "are not assessed based on their perceived impor ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physical Review Letters
''Physical Review Letters'' (''PRL''), established in 1958, is a peer-reviewed, scientific journal that is published 52 times per year by the American Physical Society. The journal is considered one of the most prestigious in the field of physics. Over a quarter of Physics Nobel Prize-winning papers between 1995 and 2017 were published in it. ''PRL'' is published both online and as a print journal. Its focus is on short articles ("letters") intended for quick publication. The Lead Editor is Hugues Chaté. The Managing Editor is Robert Garisto. History The journal was created in 1958. Samuel Goudsmit, who was then the editor of '' Physical Review'', the American Physical Society's flagship journal, organized and published ''Letters to the Editor of Physical Review'' into a new standalone journal'','' which became ''Physical Review Letters''. It was the first journal intended for the rapid publication of short articles, a format that eventually became popular in many other fiel ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electron Localization Function
In quantum chemistry, the electron localization function (ELF) is a measure of the likelihood of finding an electron in the neighborhood space of a reference electron located at a given point and with the same Spin (physics), spin. Physically, this measures the extent of spatial localization of the reference electron and provides a method for the mapping of electron pair probability in multielectronic systems. ELF's usefulness stems from the observation that it allows electron localization to be analyzed in a chemically intuitive way. For example, the Electron shell, shell structure of heavy atoms is obvious when plotting ELF against the radial distance from the nucleus; the ELF for radon has six clear Maxima and minima, maxima, whereas the electronic density decreases Monotonic function, monotonically and the radially weighted density fails to show all shells. When applied to molecules, an analysis of the ELF shows a clear separation between the Core electron, core and valence el ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Reaction Intermediate
In chemistry, a reaction intermediate, or intermediate, is a molecular entity arising within the sequence of a stepwise chemical reaction. It is formed as the reaction product of an elementary step, from the reactants and/or preceding intermediates, but is consumed in a later step. It does not appear in the chemical equation for the overall reaction. For example, consider this hypothetical reaction: :A + B → C + D If this overall reaction comprises two elementary steps thus: :A + B → X :X → C + D then X is a reaction intermediate. The phrase ''reaction intermediate'' is often abbreviated to the single word ''intermediate'', and this is IUPAC's preferred form of the term. But this shorter form has other uses. It often refers to reactive intermediates. It is also used more widely for chemicals such as cumene which are traded within the chemical industry but are not generally of value outside it. IUPAC definition The IUPAC Gold Book defines an ''intermediate'' as a co ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
