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.
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.
Bohr modelIn atomic physics, the Bohr model or Rutherford–Bohr model of the atom, presented by Niels Bohr and Ernest Rutherford in 1913, consists of a small, dense nucleus surrounded by orbiting electrons. It is analogous to the structure of the Solar System, but with attraction provided by electrostatic force rather than gravity, and with the electron energies quantized (assuming only discrete values).
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.
Spin quantum numberIn physics, the spin quantum number is a quantum number (designated s) that describes the intrinsic angular momentum (or spin angular momentum, or simply spin) of an electron or other particle. It has the same value for all particles of the same type, such as s = 1/2 for all electrons. It is an integer for all bosons, such as photons, and a half-odd-integer for all fermions, such as electrons and protons. The component of the spin along a specified axis is given by the spin magnetic quantum number, conventionally written ms.
Block (periodic table)A block of the periodic table is a set of elements unified by the atomic orbitals their valence electrons or vacancies lie in. The term appears to have been first used by Charles Janet. Each block is named after its characteristic orbital: s-block, p-block, d-block, f-block and g-block. The block names (s, p, d, and f) are derived from the spectroscopic notation for the value of an electron's azimuthal quantum number: sharp (0), principal (1), diffuse (2), or fundamental (3).
Group (periodic table)In chemistry, a group (also known as a family) is a column of elements in the periodic table of the chemical elements. There are 18 numbered groups in the periodic table; the 14 f-block columns, between groups 2 and 3, are not numbered. The elements in a group have similar physical or chemical characteristics of the outermost electron shells of their atoms (i.e., the same core charge), because most chemical properties are dominated by the orbital location of the outermost electron.
Bohr radiusThe Bohr radius (a0) is a physical constant, approximately equal to the most probable distance between the nucleus and the electron in a hydrogen atom in its ground state. It is named after Niels Bohr, due to its role in the Bohr model of an atom. Its value is The Bohr radius is defined as where is the permittivity of free space, is the reduced Planck constant, is the mass of an electron, is the elementary charge, is the speed of light in vacuum, and is the fine-structure constant.
Period (periodic table)A period on the periodic table is a row of chemical elements. All elements in a row have the same number of electron shells. Each next element in a period has one more proton and is less metallic than its predecessor. Arranged this way, elements in the same group (column) have similar chemical and physical properties, reflecting the periodic law. For example, the halogens lie in the second-to-last group (group 17) and share similar properties, such as high reactivity and the tendency to gain one electron to arrive at a noble-gas electronic configuration.
Bohr magnetonIn atomic physics, the Bohr magneton (symbol μB) is a physical constant and the natural unit for expressing the magnetic moment of an electron caused by its orbital or spin angular momentum. In SI units, the Bohr magneton is defined as and in the Gaussian CGS units as where e is the elementary charge, ħ is the reduced Planck constant, me is the electron mass, c is the speed of light. The idea of elementary magnets is due to Walther Ritz (1907) and Pierre Weiss.
Quantum electrodynamicsIn particle physics, quantum electrodynamics (QED) is the relativistic quantum field theory of electrodynamics. In essence, it describes how light and matter interact and is the first theory where full agreement between quantum mechanics and special relativity is achieved. QED mathematically describes all phenomena involving electrically charged particles interacting by means of exchange of photons and represents the quantum counterpart of classical electromagnetism giving a complete account of matter and light interaction.
Extended periodic tableAn extended periodic table theorises about chemical elements beyond those currently known in the periodic table and proven. , the element with the highest atomic number known is oganesson (Z = 118), which completes the seventh period (row) in the periodic table. All elements in the eighth period and beyond thus remain purely hypothetical. Elements beyond 118 will be placed in additional periods when discovered, laid out (as with the existing periods) to illustrate periodically recurring trends in the properties of the elements concerned.
Orbital hybridisationIn 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.
Introduction to quantum mechanicsQuantum mechanics is the study of matter and its interactions with energy on the scale of atomic and subatomic particles. By contrast, classical physics explains matter and energy only on a scale familiar to human experience, including the behavior of astronomical bodies such as the moon. Classical physics is still used in much of modern science and technology. However, towards the end of the 19th century, scientists discovered phenomena in both the large (macro) and the small (micro) worlds that classical physics could not explain.
Periodic trendsIn chemistry, periodic trends are specific patterns that are present in the Periodic table that illustrate different aspects of certain elements when grouped by period and/or group. They were discovered by the Russian chemist Dmitri Mendeleev in the year 1863. Major periodic trends include atomic radius, ionization energy, electron affinity, electronegativity, valency and metallic character. These trends exist because of the similar electron configurations of the elements within their respective groups or periods; they reflect the periodic nature of the elements.
History of the periodic tableThe periodic table is an arrangement of the chemical elements, structured by their atomic number, electron configuration and recurring chemical properties. In the basic form, elements are presented in order of increasing atomic number, in the reading sequence. Then, rows and columns are created by starting new rows and inserting blank cells, so that rows (periods) and columns (groups) show elements with recurring properties (called periodicity). For example, all elements in group (column) 18 are noble gases that are largely—though not completely—unreactive.
Quantum computingA quantum computer is a computer that exploits quantum mechanical phenomena. At small scales, physical matter exhibits properties of both particles and waves, and quantum computing leverages this behavior, specifically quantum superposition and entanglement, using specialized hardware that supports the preparation and manipulation of quantum states. Classical physics cannot explain the operation of these quantum devices, and a scalable quantum computer could perform some calculations exponentially faster than any modern "classical" computer.
Uncertainty principleIn quantum mechanics, the uncertainty principle (also known as Heisenberg's uncertainty principle) is any of a variety of mathematical inequalities asserting a fundamental limit to the product of the accuracy of certain related pairs of measurements on a quantum system, such as position, x, and momentum, p. Such paired-variables are known as complementary variables or canonically conjugate variables.
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.
Interpretations of quantum mechanicsAn interpretation of quantum mechanics is an attempt to explain how the mathematical theory of quantum mechanics might correspond to experienced reality. Although quantum mechanics has held up to rigorous and extremely precise tests in an extraordinarily broad range of experiments, there exist a number of contending schools of thought over their interpretation. These views on interpretation differ on such fundamental questions as whether quantum mechanics is deterministic or stochastic, local or non-local, which elements of quantum mechanics can be considered real, and what the nature of measurement is, among other matters.
