Mössbauer spectroscopyMössbauer spectroscopy is a spectroscopic technique based on the Mössbauer effect. This effect, discovered by Rudolf Mössbauer (sometimes written "Moessbauer", German: "Mößbauer") in 1958, consists of the nearly recoil-free emission and absorption of nuclear gamma rays in solids. The consequent nuclear spectroscopy method is exquisitely sensitive to small changes in the chemical environment of certain nuclei.
Mössbauer effectThe Mössbauer effect, or recoilless nuclear resonance fluorescence, is a physical phenomenon discovered by Rudolf Mössbauer in 1958. It involves the resonant and recoil-free emission and absorption of gamma radiation by atomic nuclei bound in a solid. Its main application is in Mössbauer spectroscopy. In the Mössbauer effect, a narrow resonance for nuclear gamma emission and absorption results from the momentum of recoil being delivered to a surrounding crystal lattice rather than to the emitting or absorbing nucleus alone.
Nuclear spectroscopyNuclear spectroscopy is a superordinate concept of methods that uses properties of a nucleus to probe material properties. By emission or absorption of radiation from the nucleus information of the local structure is obtained, as an interaction of an atom with its closest neighbours. Or a radiation spectrum of the nucleus is detected. Most methods base on hyperfine interactions, which are the interaction of the nucleus with its interaction of its atom's electrons and their interaction with the nearest neighbor atoms as well as external fields.
SpectroscopySpectroscopy is the field of study that measures and interprets the electromagnetic spectra that result from the interaction between electromagnetic radiation and matter as a function of the wavelength or frequency of the radiation. Matter waves and acoustic waves can also be considered forms of radiative energy, and recently gravitational waves have been associated with a spectral signature in the context of the Laser Interferometer Gravitational-Wave Observatory (LIGO).
Absorption spectroscopyAbsorption spectroscopy refers to spectroscopic techniques that measure the absorption of electromagnetic radiation, as a function of frequency or wavelength, due to its interaction with a sample. The sample absorbs energy, i.e., photons, from the radiating field. The intensity of the absorption varies as a function of frequency, and this variation is the absorption spectrum. Absorption spectroscopy is performed across the electromagnetic spectrum.
Metal–organic frameworkMetal–organic frameworks (MOFs) are a class of compounds consisting of metal clusters (also known as SBUs) coordinated to organic ligands to form one-, two-, or three-dimensional structures. The organic ligands included are sometimes referred to as "struts" or "linkers", one example being 1,4-benzenedicarboxylic acid (BDC). More formally, a metal–organic framework is an organic-inorganic porous extended structure. An extended structure is a structure whose sub-units occur in a constant ratio and are arranged in a repeating pattern.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Chemical structureA chemical structure of a molecule is a spatial arrangement of its atoms and their chemical bonds. Its determination includes a chemist's specifying the molecular geometry and, when feasible and necessary, the electronic structure of the target molecule or other solid. Molecular geometry refers to the spatial arrangement of atoms in a molecule and the chemical bonds that hold the atoms together and can be represented using structural formulae and by molecular models; complete electronic structure descriptions include specifying the occupation of a molecule's molecular orbitals.
Active siteIn biology and biochemistry, the active site is the region of an enzyme where substrate molecules bind and undergo a chemical reaction. The active site consists of amino acid residues that form temporary bonds with the substrate, the binding site, and residues that catalyse a reaction of that substrate, the catalytic site. Although the active site occupies only ~10–20% of the volume of an enzyme, it is the most important part as it directly catalyzes the chemical reaction.
ZeoliteZeolites are microporous, crystalline aluminosilicate materials commonly used as commercial adsorbents and catalysts. They mainly consist of silicon, aluminium, oxygen, and have the general formula M1/nn+(AlO2)-(SiO2)x・yH2O where M1/nn+ is either a metal ion or H+. These positive ions can be exchanged for others in a contacting electrolyte solution. H+ exchanged zeolites are particularly useful as solid acid catalysts.
