Molecular orbital theoryIn chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.
Scanning tunneling microscopeA scanning tunneling microscope (STM) is a type of microscope used for imaging surfaces at the atomic level. Its development in 1981 earned its inventors, Gerd Binnig and Heinrich Rohrer, then at IBM Zürich, the Nobel Prize in Physics in 1986. STM senses the surface by using an extremely sharp conducting tip that can distinguish features smaller than 0.1 nm with a 0.01 nm (10 pm) depth resolution. This means that individual atoms can routinely be imaged and manipulated.
Molecular orbitalIn chemistry, a molecular orbital (ɒrbədl) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.
Antibonding molecular orbitalIn theoretical chemistry, an antibonding orbital is a type of molecular orbital that weakens the chemical bond between two atoms and helps to raise the energy of the molecule relative to the separated atoms. Such an orbital has one or more nodes in the bonding region between the nuclei. The density of the electrons in the orbital is concentrated outside the bonding region and acts to pull one nucleus away from the other and tends to cause mutual repulsion between the two atoms.
Linear combination of atomic orbitalsA linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. In quantum mechanics, electron configurations of atoms are described as wavefunctions. In a mathematical sense, these wave functions are the basis set of functions, the basis functions, which describe the electrons of a given atom. In chemical reactions, orbital wavefunctions are modified, i.e.
Bonding molecular orbitalIn theoretical chemistry, the bonding orbital is used in molecular orbital (MO) theory to describe the attractive interactions between the atomic orbitals of two or more atoms in a molecule. In MO theory, electrons are portrayed to move in waves. When more than one of these waves come close together, the in-phase combination of these waves produces an interaction that leads to a species that is greatly stabilized. The result of the waves’ constructive interference causes the density of the electrons to be found within the binding region, creating a stable bond between the two species.
HexagonIn geometry, a hexagon (from Greek ἕξ, hex, meaning "six", and γωνία, gonía, meaning "corner, angle") is a six-sided polygon. The total of the internal angles of any simple (non-self-intersecting) hexagon is 720°. A regular hexagon has Schläfli symbol {6} and can also be constructed as a truncated equilateral triangle, t{3}, which alternates two types of edges. A regular hexagon is defined as a hexagon that is both equilateral and equiangular. It is bicentric, meaning that it is both cyclic (has a circumscribed circle) and tangential (has an inscribed circle).
OctahedronIn geometry, an octahedron () is a polyhedron with eight faces. The term is most commonly used to refer to the regular octahedron, a Platonic solid composed of eight equilateral triangles, four of which meet at each vertex. A regular octahedron is the dual polyhedron of a cube. It is a rectified tetrahedron. It is a square bipyramid in any of three orthogonal orientations. It is also a triangular antiprism in any of four orientations. An octahedron is the three-dimensional case of the more general concept of a cross polytope.
Gaussian orbitalIn computational chemistry and molecular physics, Gaussian orbitals (also known as Gaussian type orbitals, GTOs or Gaussians) are functions used as atomic orbitals in the LCAO method for the representation of electron orbitals in molecules and numerous properties that depend on these. The use of Gaussian orbitals in electronic structure theory (instead of the more physical Slater-type orbitals) was first proposed by Boys in 1950.
Hexagonal prismIn geometry, the hexagonal prism is a prism with hexagonal base. Prisms are polyhedrons; this polyhedron has 8 faces, 18 edges, and 12 vertices. Since it has 8 faces, it is an octahedron. However, the term octahedron is primarily used to refer to the regular octahedron, which has eight triangular faces. Because of the ambiguity of the term octahedron and tilarity of the various eight-sided figures, the term is rarely used without clarification. Before sharpening, many pencils take the shape of a long hexagonal prism.
Scanning probe microscopyScanning probe microscopy (SPM) is a branch of microscopy that forms images of surfaces using a physical probe that scans the specimen. SPM was founded in 1981, with the invention of the scanning tunneling microscope, an instrument for imaging surfaces at the atomic level. The first successful scanning tunneling microscope experiment was done by Gerd Binnig and Heinrich Rohrer. The key to their success was using a feedback loop to regulate gap distance between the sample and the probe.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
CuboctahedronA cuboctahedron is a polyhedron with 8 triangular faces and 6 square faces. A cuboctahedron has 12 identical vertices, with 2 triangles and 2 squares meeting at each, and 24 identical edges, each separating a triangle from a square. As such, it is a quasiregular polyhedron, i.e. an Archimedean solid that is not only vertex-transitive but also edge-transitive. It is radially equilateral. Its dual polyhedron is the rhombic dodecahedron.
Atomic force microscopyAtomic force microscopy (AFM) or scanning force microscopy (SFM) is a very-high-resolution type of scanning probe microscopy (SPM), with demonstrated resolution on the order of fractions of a nanometer, more than 1000 times better than the optical diffraction limit. Atomic force microscopy (AFM) is a type of scanning probe microscopy (SPM), with demonstrated resolution on the order of fractions of a nanometer, more than 1000 times better than the optical diffraction limit.
TetrahedronIn geometry, a tetrahedron (plural: tetrahedra or tetrahedrons), also known as a triangular pyramid, is a polyhedron composed of four triangular faces, six straight edges, and four vertex corners. The tetrahedron is the simplest of all the ordinary convex polyhedra. The tetrahedron is the three-dimensional case of the more general concept of a Euclidean simplex, and may thus also be called a 3-simplex. The tetrahedron is one kind of pyramid, which is a polyhedron with a flat polygon base and triangular faces connecting the base to a common point.
Spatial analysisSpatial analysis is any of the formal techniques which studies entities using their topological, geometric, or geographic properties. Spatial analysis includes a variety of techniques using different analytic approaches, especially spatial statistics. It may be applied in fields as diverse as astronomy, with its studies of the placement of galaxies in the cosmos, or to chip fabrication engineering, with its use of "place and route" algorithms to build complex wiring structures.
Molecular orbital diagramA molecular orbital diagram, or MO diagram, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the linear combination of atomic orbitals (LCAO) method in particular. A fundamental principle of these theories is that as atoms bond to form molecules, a certain number of atomic orbitals combine to form the same number of molecular orbitals, although the electrons involved may be redistributed among the orbitals.
Spatial databaseA spatial database is a general-purpose database (usually a relational database) that has been enhanced to include spatial data that represents objects defined in a geometric space, along with tools for querying and analyzing such data. Most spatial databases allow the representation of simple geometric objects such as points, lines and polygons. Some spatial databases handle more complex structures such as 3D objects, topological coverages, linear networks, and triangulated irregular networks (TINs).
Nonmetal (chemistry)A nonmetal is a chemical element that, in the broadest sense of the term, has a relatively low density and high electronegativity; they range from colorless gases (like hydrogen) to shiny solids (like carbon, as graphite). They are usually poor conductors of heat and electricity, and brittle or crumbly when solid due to their electrons having low mobility. In contrast, metals are good conductors and most are easily flattened into sheets and drawn into wires since their electrons are generally free-moving.
Scanning electron microscopeA scanning electron microscope (SEM) is a type of electron microscope that produces images of a sample by scanning the surface with a focused beam of electrons. The electrons interact with atoms in the sample, producing various signals that contain information about the surface topography and composition of the sample. The electron beam is scanned in a raster scan pattern, and the position of the beam is combined with the intensity of the detected signal to produce an image.
