|
Van Der Waals Compound
A van der Waals molecule is a weakly bound complex of atoms or molecules held together by intermolecular attractions such as van der Waals forces or by hydrogen bonds. The name originated in the beginning of the 1970s when stable molecular clusters were regularly observed in molecular beam microwave spectroscopy. Examples Examples of well-studied van der Waals (vdW) molecules are Ar2, H2-Ar, H2O-Ar, benzene-Ar, (H2O)2, and (HF)2. Others include the largest diatomic molecule He2, and LiHe. A notable example is the He-HCN complex, studied for its large amplitude motions and the applicability of the adiabatic approximation in separating its angular and radial motions. Research has shown that even in such 'floppy' systems, the adiabatic approximation can be effectively utilized to simplify quantum mechanical analyses. Supersonic beam spectroscopy In (supersonic) molecular beams temperatures are very low (usually less than 5 K). At these low temperatures, vdW molecules ar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Far-infrared Spectroscopy
Far infrared (FIR) or long wave refers to a specific range within the infrared spectrum of electromagnetic radiation. It encompasses radiation with wavelengths ranging from 15 μm ( micrometers) to 1 mm, which corresponds to a frequency range of approximately 20 THz to 300 GHz. This places far infrared radiation within the CIE IR-B and IR-C bands. The longer wavelengths of the FIR spectrum overlap with a range known as terahertz radiation. Different sources may use different boundaries to define the far infrared range. For instance, astronomers often define it as wavelengths between 25 μm and 350 μm. Infrared photons possess significantly lower energy than photons in the visible light spectrum, with tens to hundreds of times less energy. Applications Astronomy Objects within a temperature range of approximately 5 K to 340 K emit radiation in the far infrared range as a result of black-body radiation, in accordance with Wien's displace ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Physical Chemistry
Physical chemistry is the study of macroscopic and microscopic phenomena in chemical systems in terms of the principles, practices, and concepts of physics such as motion, energy, force, time, thermodynamics, quantum chemistry, statistical mechanics, analytical dynamics and chemical equilibria. Physical chemistry, in contrast to chemical physics, is predominantly (but not always) a supra-molecular science, as the majority of the principles on which it was founded relate to the bulk rather than the molecular or atomic structure alone (for example, chemical equilibrium and colloids). Some of the relationships that physical chemistry strives to understand include the effects of: # Intermolecular forces that act upon the physical properties of materials ( plasticity, tensile strength, surface tension in liquids). # Reaction kinetics on the rate of a reaction. # The identity of ions and the electrical conductivity of materials. # Surface science and electrochemistry of cell m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Van Der Waals Surface
The van der Waals surface of a molecule is an abstract representation or model of that molecule, illustrating where, in very rough terms, a surface might reside for the molecule based on the hard cutoffs of van der Waals radii for individual atoms, and it represents a surface through which the molecule might be conceived as interacting with other molecules. Also referred to as a ''van der Waals envelope,'' the van der Waals surface is named for Johannes Diderik van der Waals, a Dutch theoretical physicist and thermodynamicist who developed theory to provide a liquid-gas equation of state that accounted for the non-zero volume of atoms and molecules, and on their exhibiting an attractive force when they interacted (theoretical constructions that also bear his name). van der Waals surfaces are therefore a tool used in the abstract representations of molecules, whether accessed, as they were originally, via hand calculation, or via physical wood/plastic models, or now digitally ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Van Der Waals Strain
Van der Waals strain is strain resulting from Van der Waals repulsion when two substituents in a molecule approach each other with a distance less than the sum of their Van der Waals radii. Van der Waals strain is also called Van der Waals repulsion and is related to steric hindrance. One of the most common forms of this strain is eclipsing hydrogen, in alkanes. In rotational and pseudorotational mechanisms In molecules whose vibrational mode involves a rotational or pseudorotational mechanism (such as the Berry mechanism or the Bartell mechanism), Van der Waals strain can cause significant differences in potential energy, even between molecules with identical geometry. PF5, for example, has significantly lower potential energy than PCl5. Despite their identical trigonal bipyramidal molecular geometry, the higher electron count of chlorine as compared to fluorine causes a potential energy spike as the molecule enters its intermediate in the mechanism and the substituent ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Van Der Waals Radius
The van der Waals radius, ''r'', of an atom is the radius of an imaginary hard sphere representing the distance of closest approach for another atom. It is named after Johannes Diderik van der Waals, winner of the 1910 Nobel Prize in Physics, as he was the first to recognise that atoms were not simply points and to demonstrate the physical consequences of their size through the van der Waals equation of state. van der Waals volume The van der Waals volume, ''V'', also called the atomic volume or molecular volume, is the atomic property most directly related to the van der Waals radius. It is the volume "occupied" by an individual atom (or molecule). The van der Waals volume may be calculated if the van der Waals radii (and, for molecules, the inter-atomic distances, and angles) are known. For a single atom, it is the volume of a sphere whose radius is the van der Waals radius of the atom:V_ = \pi r_^3. For a molecule, it is the volume enclosed by the van der Waals surf ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Born–Oppenheimer Approximation
In quantum chemistry and molecular physics, the Born–Oppenheimer (BO) approximation is the assumption that the wave functions of atomic nuclei and electrons in a molecule can be treated separately, based on the fact that the nuclei are much heavier than the electrons. Due to the larger relative mass of a nucleus compared to an electron, the coordinates of the nuclei in a system are approximated as fixed, while the coordinates of the electrons are dynamic. The approach is named after Max Born and his 23-year-old graduate student J. Robert Oppenheimer, the latter of whom proposed it in 1927 during a period of intense ferment in the development of quantum mechanics. The approximation is widely used in quantum chemistry to speed up the computation of molecular wavefunctions and other properties for large molecules. There are cases where the assumption of separable motion no longer holds, which make the approximation lose validity (it is said to "break down"), but even then the ap ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Intermolecular Forces
An intermolecular force (IMF; also secondary force) is the force that mediates interaction between molecules, including the electromagnetic forces of attraction or repulsion which act between atoms and other types of neighbouring particles (e.g. atoms or ions). Intermolecular forces are weak relative to intramolecular forces – the forces which hold a molecule together. For example, the covalent bond, involving sharing electron pairs between atoms, is much stronger than the forces present between neighboring molecules. Both sets of forces are essential parts of force fields frequently used in molecular mechanics. The first reference to the nature of microscopic forces is found in Alexis Clairaut's work ''Théorie de la figure de la Terre,'' published in Paris in 1743. Other scientists who have contributed to the investigation of microscopic forces include: Laplace, Gauss, Maxwell, Boltzmann and Pauling. Attractive intermolecular forces are categorized into the following type ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Semi-rigid Molecule
In chemistry and molecular physics, fluxional (or non-rigid) molecules are molecules that undergo dynamics such that some or all of their atoms interchange between symmetry-equivalent positions. Because virtually all molecules are fluxional in some respects, e.g. bond rotations in most organic compounds, the term fluxional depends on the context and the method used to assess the dynamics. Often, a molecule is considered fluxional if its spectroscopic signature exhibits line-broadening (beyond that dictated by the Heisenberg uncertainty principle) due to chemical exchange. In some cases, where the rates are slow, fluxionality is not detected spectroscopically, but by isotopic labeling and other methods. Spectroscopic studies Many organometallic compounds exhibit fluxionality. Fluxionality is, however, pervasive. NMR spectroscopy Temperature dependent changes in the NMR spectra result from dynamics associated with the fluxional molecules when those dynamics proceed at rates compar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
LiHe
Lithium helide is a compound of helium and lithium with the formula LiHe. The substance is a cold low-density gas made of Van der Waals molecules, each composed of a helium atom and lithium atom bound by van der Waals force. The preparation of LiHe opens up the possibility to prepare other helium dimers, and beyond that multi-atom clusters that could be used to investigate Efimov states and Casimir retardation effects. Detection It was detected in 2013. Previously 7Li4He was predicted to have a binding energy of 0.0039 cm−1 (7.7×10−8eV, 1.2×10−26J, or 6 mK), and a bond length of 28 Å. Other van der Waals-bound helium molecules were previously known including Ag3He and He2. Detection of LiHe was done via fluorescence. The lithium atom in the X2Σ state was excited to A2Π. The spectrum showed a pair of lines, each split into two with the hyperfine structure of 7Li. The lines had wavenumbers of 14902.563, 14902.591, 14902.740, and 14902.768 cm−1. The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atom
Atoms are the basic particles of the chemical elements. An atom consists of a atomic nucleus, nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. Atoms with the same number of protons but a different number of neutrons are called isotopes of the same element. Atoms are extremely small, typically around 100 picometers across. A human hair is about a million carbon atoms wide. Atoms are smaller than the shortest wavelength of visible light, which means humans cannot see atoms with conventional microscopes. They are so small that accurately predicting their behavior using classical physics is not possible due to quantum mechanics, quantum effects. More than 99.94% of an atom's mass is in the nucleus. Protons hav ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Helium Dimer
The helium dimer is a van der Waals molecule with formula He2 consisting of two helium atoms. This chemical is the largest diatomic molecule—a molecule consisting of two atoms bonded together. The bond that holds this dimer together is so weak that it will break if the molecule rotates, or vibrates too much. It can only exist at very low cryogenic temperatures. Two excited helium atoms can also bond to each other in a form called an excimer. This was discovered from a spectrum of helium that contained bands first seen in 1912. Written as He2* with the * meaning an excited state, it is the first known Rydberg molecule. Several dihelium ions also exist, having net charges of negative one, positive one, and positive two. Two helium atoms can be confined together without bonding in the cage of a fullerene. Molecule Based on molecular orbital theory, He2 should not exist, and a chemical bond cannot form between the atoms. However, the van der Waals force exists between he ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
