Ligand field theoryLigand field theory (LFT) describes the bonding, orbital arrangement, and other characteristics of coordination complexes. It represents an application of molecular orbital theory to transition metal complexes. A transition metal ion has nine valence atomic orbitals - consisting of five nd, one (n+1)s, and three (n+1)p orbitals. These orbitals are of appropriate energy to form bonding interaction with ligands. The LFT analysis is highly dependent on the geometry of the complex, but most explanations begin by describing octahedral complexes, where six ligands coordinate to the metal.
LigandIn coordination chemistry, a ligand is an ion or molecule with a functional group that binds to a central metal atom to form a coordination complex. The bonding with the metal generally involves formal donation of one or more of the ligand's electron pairs, often through Lewis bases. The nature of metal–ligand bonding can range from covalent to ionic. Furthermore, the metal–ligand bond order can range from one to three. Ligands are viewed as Lewis bases, although rare cases are known to involve Lewis acidic "ligands".
Spectrochemical seriesA spectrochemical series is a list of ligands ordered by ligand "strength", and a list of metal ions based on oxidation number, group and element. For a metal ion, the ligands modify the difference in energy Δ between the d orbitals, called the ligand-field splitting parameter in ligand field theory, or the crystal-field splitting parameter in crystal field theory. The splitting parameter is reflected in the ion's electronic and magnetic properties such as its spin state, and optical properties such as its color and absorption spectrum.
TheoryA theory is a rational type of abstract thinking about a phenomenon, or the results of such thinking. The process of contemplative and rational thinking is often associated with such processes as observational study or research. Theories may be scientific, belong to a non-scientific discipline, or no discipline at all. Depending on the context, a theory's assertions might, for example, include generalized explanations of how nature works. The word has its roots in ancient Greek, but in modern use it has taken on several related meanings.
Crystal field theoryIn molecular physics, crystal field theory (CFT) describes the breaking of degeneracies of electron orbital states, usually d or f orbitals, due to a static electric field produced by a surrounding charge distribution (anion neighbors). This theory has been used to describe various spectroscopies of transition metal coordination complexes, in particular optical spectra (colors). CFT successfully accounts for some magnetic properties, colors, hydration enthalpies, and spinel structures of transition metal complexes, but it does not attempt to describe bonding.
Rare-earth elementThe rare-earth elements (REE), also called the rare-earth metals or rare earths or, in context, rare-earth oxides, and sometimes the lanthanides (although yttrium and scandium, which do not belong to this series, are usually included as rare earths), are a set of 17 nearly indistinguishable lustrous silvery-white soft heavy metals. Compounds containing rare earths have diverse applications in electrical and electronic components, lasers, glass, magnetic materials, and industrial processes.
Rare-earth mineralA rare-earth mineral contains one or more rare-earth elements as major metal constituents. Rare-earth minerals are usually found in association with alkaline to peralkaline igneous complexes, in pegmatites associated with alkaline magmas and in or associated with carbonatite intrusives. Perovskite mineral phases are common hosts to rare-earth elements within the alkaline complexes. Mantle-derived carbonate melts are also carriers of the rare earths. Hydrothermal deposits associated with alkaline magmatism contain a variety of rare-earth minerals.
Rare Earth hypothesisIn planetary astronomy and astrobiology, the Rare Earth hypothesis argues that the origin of life and the evolution of biological complexity such as sexually reproducing, multicellular organisms on Earth (and, subsequently, human intelligence) required an improbable combination of astrophysical and geological events and circumstances. According to the hypothesis, complex extraterrestrial life is an improbable phenomenon and likely to be rare throughout the universe as a whole.
Coordinate covalent bondIn coordination chemistry, a coordinate covalent bond, also known as a dative bond, dipolar bond, or coordinate bond is a kind of two-center, two-electron covalent bond in which the two electrons derive from the same atom. The bonding of metal ions to ligands involves this kind of interaction. This type of interaction is central to Lewis acid–base theory. Coordinate bonds are commonly found in coordination compounds. Coordinate covalent bonding is ubiquitous.
Emission spectrumThe emission spectrum of a chemical element or chemical compound is the spectrum of frequencies of electromagnetic radiation emitted due to an electron making a transition from a high energy state to a lower energy state. The photon energy of the emitted photon is equal to the energy difference between the two states. There are many possible electron transitions for each atom, and each transition has a specific energy difference. This collection of different transitions, leading to different radiated wavelengths, make up an emission spectrum.
MendeleviumMendelevium is a synthetic element with the symbol Md (formerly Mv) and atomic number 101. A metallic radioactive transuranium element in the actinide series, it is the first element by atomic number that currently cannot be produced in macroscopic quantities by neutron bombardment of lighter elements. It is the third-to-last actinide and the ninth transuranic element. It can only be produced in particle accelerators by bombarding lighter elements with charged particles.
Experimental uncertainty analysisExperimental uncertainty analysis is a technique that analyses a derived quantity, based on the uncertainties in the experimentally measured quantities that are used in some form of mathematical relationship ("model") to calculate that derived quantity. The model used to convert the measurements into the derived quantity is usually based on fundamental principles of a science or engineering discipline. The uncertainty has two components, namely, bias (related to accuracy) and the unavoidable random variation that occurs when making repeated measurements (related to precision).
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.
Propagation of uncertaintyIn statistics, propagation of uncertainty (or propagation of error) is the effect of variables' uncertainties (or errors, more specifically random errors) on the uncertainty of a function based on them. When the variables are the values of experimental measurements they have uncertainties due to measurement limitations (e.g., instrument precision) which propagate due to the combination of variables in the function. The uncertainty u can be expressed in a number of ways. It may be defined by the absolute error Δx.
NobeliumNobelium is a synthetic chemical element with the symbol No and atomic number 102. It is named in honor of Alfred Nobel, the inventor of dynamite and benefactor of science. A radioactive metal, it is the tenth transuranic element and is the penultimate member of the actinide series. Like all elements with atomic number over 100, nobelium can only be produced in particle accelerators by bombarding lighter elements with charged particles.
Metal nitrosyl complexMetal nitrosyl complexes are complexes that contain nitric oxide, NO, bonded to a transition metal. Many kinds of nitrosyl complexes are known, which vary both in structure and coligand. Most complexes containing the NO ligand can be viewed as derivatives of the nitrosyl cation, NO+. The nitrosyl cation is isoelectronic with carbon monoxide, thus the bonding between a nitrosyl ligand and a metal follows the same principles as the bonding in carbonyl complexes.
Force field (chemistry)In the context of chemistry and molecular modelling, a force field is a computational method that is used to estimate the forces between atoms within molecules and also between molecules. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy of a system of atoms or coarse-grained particles in molecular mechanics, molecular dynamics, or Monte Carlo simulations. The parameters for a chosen energy function may be derived from experiments in physics and chemistry, calculations in quantum mechanics, or both.
ActinideThe actinide (ˈæktᵻnaɪd) or actinoid (ˈæktᵻnɔɪd) series encompasses the 15 metallic chemical elements with atomic numbers from 89 to 103, actinium through lawrencium. The actinide series derives its name from the first element in the series, actinium. The informal chemical symbol An is used in general discussions of actinide chemistry to refer to any actinide. The 1985 IUPAC Red Book recommends that actinoid be used rather than actinide, since the suffix -ide normally indicates a negative ion.
Spectral lineA spectral line is a weaker or stronger region in an otherwise uniform and continuous spectrum, resulting from emission or absorption of light in a narrow frequency range, compared with the nearby frequencies. Spectral lines are often used to identify atoms and molecules. These "fingerprints" can be compared to the previously collected ones of atoms and molecules, and are thus used to identify the atomic and molecular components of stars and planets, which would otherwise be impossible.
M-theoryM-theory is a theory in physics that unifies all consistent versions of superstring theory. Edward Witten first conjectured the existence of such a theory at a string theory conference at the University of Southern California in 1995 (M-Theory - Edward Witten (1995)). Witten's announcement initiated a flurry of research activity known as the second superstring revolution. Prior to Witten's announcement, string theorists had identified five versions of superstring theory.
