Thomas Loerting (born October 29, 1973) is an Austrian chemist and associate professor at the University of Innsbruck. His research focuses on amorphous systems, the physics and chemistry of ice and chemistry at low temperatures. [1]
Thomas Loerting (born October 29, 1973) is an Austrian chemist and associate professor at the University of Innsbruck. His research focuses on amorphous systems, the physics and chemistry of ice and chemistry at low temperatures. [1]
Thomas Loerting was born in Innsbruck where he also graduated from high-school ("Reithmanngymnasium") in 1992. He studied chemistry at the University of Innsbruck and received his Master's degree in 1997. In 1998, over the course of his Ph.D. in Innsbruck, Loerting was a guest lecturer at the Gadjah Mada University in Yogyakarta and the Chulalongkorn University in Bangkok, Thailand. He successfully defended his Ph.D. thesis titled "Kinetics of water mediated proton transfer in the atmosphere" in 2000. In 2001, he joined the team of Nobel laureate Mario Molina at the Massachusetts Institute of Technology. Loerting returned to Innsbruck in 2004 as assistant professor working together with Erwin Mayer. His habilitation "Disordered water at low temperatures" was submitted 2007. In 2008, he was elected as member of the Austrian Academy of Sciences ("Junge Kurie"). Since 2010, he is associate professor at the Institute of Physical Chemistry. [2] As of 2012, he is also speaker of the research platform "Advanced Materials", which counts over 10 research groups. [3] In addition to his academic work, he serves as advisor to the Austrian Luge Federation.
Thomas Loerting research includes more than 180 peer-reviewed international publications with more than 8000 citations, resulting in a h-index of 48 (as of October 2022). His first contributions were in the field of Theoretical and Computational chemistry, contributing to the understanding of hydration of sulfur dioxide and sulfur trioxide as well as the decomposition of chlorine nitrate, relevant to the chemistry of the atmosphere. He soon moved on to experiments where he advanced the field of amorphous ices, ice polymorphs and carbonic acid over the course of his career.
Thomas Loerting provided significant contributions for the understanding of polyamorphism in water. This includes the recognition of VHDA as third distinct amorphous state of water [4] as well as extensive studies on structure and dynamics of low- and high-density amorphous ice (LDA and HDA) using dilatometry, spectroscopy, calorimetry and diffraction. One particularly notable finding was that LDA and HDA both exhibit glass-to-liquid transitions at ambient pressure, [5] which provides support for the LLCP scenario in water. [6]
In addition to his achievements in the field of amorphous ices, Thomas Loerting is recognized for his works on crystalline ices, including the recent discovery of ice XIX. Together with his team he provided the first experimental proof that for each hydrogen-disordered ice phase (in this case: ice VI) several hydrogen-ordered counterparts (ices XV and XIX) may exist. [7] [8] [9] [10]
Another focus in the body of work of Thomas Loerting is acid-base chemistry under cryo-conditions. By employing the cryo-preparation and rapid quenching technique developed by Hage, Hallbrucker and Mayer, [11] coupled with FTIR-spectroscopy of the solid and the matrix isolated species, Loerting and his co-workers have pioneered formation and isomerisation of carbonic acid and its derivatives. [12] [13] [14] [15] [16] [17] [18] [19]
Thomas Loerting has received numerous awards for his scientific input. Among the most notable are:
Carbon is a chemical element; it has symbol C and atomic number 6. It is nonmetallic and tetravalent—meaning that its atoms are able to form up to four covalent bonds due to its valence shell exhibiting 4 electrons. It belongs to group 14 of the periodic table. Carbon makes up about 0.025 percent of Earth's crust. Three isotopes occur naturally, 12C and 13C being stable, while 14C is a radionuclide, decaying with a half-life of 5,700 years. Carbon is one of the few elements known since antiquity.
Carbon monoxide is a poisonous, flammable gas that is colorless, odorless, tasteless, and slightly less dense than air. Carbon monoxide consists of one carbon atom and one oxygen atom connected by a triple bond. It is the simplest carbon oxide. In coordination complexes, the carbon monoxide ligand is called carbonyl. It is a key ingredient in many processes in industrial chemistry.
In chemistry, a hydrogen bond is primarily an electrostatic force of attraction between a hydrogen (H) atom which is covalently bonded to a more electronegative "donor" atom or group (Dn), and another electronegative atom bearing a lone pair of electrons—the hydrogen bond acceptor (Ac). Such an interacting system is generally denoted Dn−H···Ac, where the solid line denotes a polar covalent bond, and the dotted or dashed line indicates the hydrogen bond. The most frequent donor and acceptor atoms are the period 2 elements nitrogen (N), oxygen (O), and fluorine (F).
Carbonic acid is a chemical compound with the chemical formula H2CO3. The molecule rapidly converts to water and carbon dioxide in the presence of water. However, in the absence of water, it is quite stable at room temperature. The interconversion of carbon dioxide and carbonic acid is related to the breathing cycle of animals and the acidification of natural waters.
Clathrate hydrates, or gas hydrates, clathrates, or hydrates, are crystalline water-based solids physically resembling ice, in which small non-polar molecules or polar molecules with large hydrophobic moieties are trapped inside "cages" of hydrogen bonded, frozen water molecules. In other words, clathrate hydrates are clathrate compounds in which the host molecule is water and the guest molecule is typically a gas or liquid. Without the support of the trapped molecules, the lattice structure of hydrate clathrates would collapse into conventional ice crystal structure or liquid water. Most low molecular weight gases, including O2, H2, N2, CO2, CH4, H2S, Ar, Kr, Xe, and Cl2 as well as some higher hydrocarbons and freons, will form hydrates at suitable temperatures and pressures. Clathrate hydrates are not officially chemical compounds, as the enclathrated guest molecules are never bonded to the lattice. The formation and decomposition of clathrate hydrates are first order phase transitions, not chemical reactions. Their detailed formation and decomposition mechanisms on a molecular level are still not well understood. Clathrate hydrates were first documented in 1810 by Sir Humphry Davy who found that water was a primary component of what was earlier thought to be solidified chlorine.
Tetrazoles are a class of synthetic organic heterocyclic compound, consisting of a 5-member ring of four nitrogen atoms and one carbon atom. The name tetrazole also refers to the parent compound with formula CH2N4, of which three isomers can be formulated.
A superbase is a compound that has a particularly high affinity for protons. Superbases are of theoretical interest and potentially valuable in organic synthesis. Superbases have been described and used since the 1850s.
Borazine, also known as borazole, is an inorganic compound with the chemical formula B3H6N3. In this cyclic compound, the three BH units and three NH units alternate. The compound is isoelectronic and isostructural with benzene. For this reason borazine is sometimes referred to as “inorganic benzene”. Like benzene, borazine is a colourless liquid with an aromatic odor.
Matrix isolation is an experimental technique used in chemistry and physics. It generally involves a material being trapped within an unreactive matrix. A host matrix is a continuous solid phase in which guest particles are embedded. The guest is said to be isolated within the host matrix. Initially the term matrix-isolation was used to describe the placing of a chemical species in any unreactive material, often polymers or resins, but more recently has referred specifically to gases in low-temperature solids. A typical matrix isolation experiment involves a guest sample being diluted in the gas phase with the host material, usually a noble gas or nitrogen. This mixture is then deposited on a window that is cooled to below the melting point of the host gas. The sample may then be studied using various spectroscopic procedures.
Polyamorphism is the ability of a substance to exist in several different amorphous modifications. It is analogous to the polymorphism of crystalline materials. Many amorphous substances can exist with different amorphous characteristics. However, polyamorphism requires two distinct amorphous states with a clear, discontinuous (first-order) phase transition between them. When such a transition occurs between two stable liquid states, a polyamorphic transition may also be referred to as a liquid–liquid phase transition.
The Grotthuss mechanism is a model for the process by which an 'excess' proton or proton defect diffuses through the hydrogen bond network of water molecules or other hydrogen-bonded liquids through the formation and concomitant cleavage of covalent bonds involving neighboring molecules.
Carbon trioxide (CO3) is an unstable oxide of carbon (an oxocarbon). The possible isomers of carbon trioxide include ones with molecular symmetry point groups Cs, D3h, and C2v. The C2v state, consisting of a dioxirane, has been shown to be the ground state of the molecule. Carbon trioxide should not be confused with the stable carbonate ion (CO2−
3).
Carbamic acid, which might also be called aminoformic acid or aminocarboxylic acid, is the chemical compound with the formula H2NCOOH. It can be obtained by the reaction of ammonia NH3 and carbon dioxide CO2 at very low temperatures, which also yields ammonium carbamate [NH4]+[NH2CO2]−. The compound is stable only up to about 250 K (−23 °C); at higher temperatures it decomposes into those two gases. The solid apparently consists of dimers, with the two molecules connected by hydrogen bonds between the two carboxyl groups –COOH.
Ascalaph Designer is a computer program for general purpose molecular modelling for molecular design and simulations. It provides a graphical environment for the common programs of quantum and classical molecular modelling ORCA, NWChem, Firefly, CP2K and MDynaMix . The molecular mechanics calculations cover model building, energy optimizations and molecular dynamics. Firefly covers a wide range of quantum chemistry methods. Ascalaph Designer is free and open-source software, released under the GNU General Public License, version 2 (GPLv2).
Boron can be prepared in several crystalline and amorphous forms. Well known crystalline forms are α-rhombohedral (α-R), β-rhombohedral (β-R), and β-tetragonal (β-T). In special circumstances, boron can also be synthesized in the form of its α-tetragonal (α-T) and γ-orthorhombic (γ) allotropes. Two amorphous forms, one a finely divided powder and the other a glassy solid, are also known. Although at least 14 more allotropes have been reported, these other forms are based on tenuous evidence or have not been experimentally confirmed, or are thought to represent mixed allotropes, or boron frameworks stabilized by impurities. Whereas the β-rhombohedral phase is the most stable and the others are metastable, the transformation rate is negligible at room temperature, and thus all five phases can exist at ambient conditions. Amorphous powder boron and polycrystalline β-rhombohedral boron are the most common forms. The latter allotrope is a very hard grey material, about ten percent lighter than aluminium and with a melting point (2080 °C) several hundred degrees higher than that of steel.
Water is a polar inorganic compound that is at room temperature a tasteless and odorless liquid, which is nearly colorless apart from an inherent hint of blue. It is by far the most studied chemical compound and is described as the "universal solvent" and the "solvent of life". It is the most abundant substance on the surface of Earth and the only common substance to exist as a solid, liquid, and gas on Earth's surface. It is also the third most abundant molecule in the universe.
Carbon nanotube chemistry involves chemical reactions, which are used to modify the properties of carbon nanotubes (CNTs). CNTs can be functionalized to attain desired properties that can be used in a wide variety of applications. The two main methods of CNT functionalization are covalent and non-covalent modifications.
Eluvathingal Devassy Jemmis is a professor of theoretical chemistry at the Indian Institute of Science, Bangalore, India. He was the founding director of Indian Institute of Science Education and Research, Thiruvananthapuram (IISER-TVM). His primary area of research is applied theoretical chemistry with emphasis on structure, bonding and reactivity, across the periodic table of the elements. Apart from many of his contributions to applied theoretical chemistry, an equivalent of the structural chemistry of carbon, as exemplified by the Huckel 4n+2 Rule, benzenoid aromatics and graphite, and tetrahedral carbon and diamond, is brought in the structural chemistry of boron by the Jemmis mno rules which relates polyhedral and macropolyhedral boranes to allotropes of boron and boron-rich solids. He has been awarded Padma Shri in Science and Engineering category by the Government of India.
The phases of ice are all possible states of matter for water as a solid. Variations in pressure and temperature give rise to different phases, which have varying properties and molecular geometries. Currently, twenty one phases, including both crystalline and amorphous ices have been observed. In modern history, phases have been discovered through scientific research with various techniques including pressurization, force application, nucleation agents, and others.
1,1-Dihydroxyethene is an organic compound consisting of two hydroxy groups as substituents on the same carbon atom of an ethene chain. The chemical is also called ketene hydrate because it is the carbonyl hydrate of ketene. Its structure can also be considered as the enol form of acetic acid. This compound is likely a key intermediate in the hydration reaction that converts ketene into acetic acid. The analysis of the possible pathways for this reaction has been cited as an example of the importance of considering activation energy of each mechanistic step. The hydration of the carbonyl of ketene, which formally involves an addition reaction of one water molecule onto the carbonyl group, is likely catalyzed by a second water molecule. The compound has now been synthesized and identified spectroscopically.
