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Repulsive State
In quantum mechanics, a repulsive state is an electronic state of a molecule for which there is no minimum in the potential energy. This means that the state is unstable and unbound since the potential energy smoothly decreases with the interatomic distance and the atoms repel one another. In such a state there are no discrete vibrational energy levels; instead, these levels form a continuum. This should not be confused with an excited state, which is a metastable electronic state containing a minimum in the potential energy, and may be short or long-lived. When a molecule is excited by means such as UV/VIS spectroscopy it can undergo a molecular electronic transition: if such a transition brings the molecule into a repulsive state, it will spontaneously dissociate. This condition is also known as predissociation since the chemical bond is broken at an energy which is lower than what might be expected. In electronic spectroscopy, this often appears as a strong, continuous feature ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is a fundamental theory in physics that provides a description of the physical properties of nature at the scale of atoms and subatomic particles. It is the foundation of all quantum physics including quantum chemistry, quantum field theory, quantum technology, and quantum information science. Classical physics, the collection of theories that existed before the advent of quantum mechanics, describes many aspects of nature at an ordinary (macroscopic) scale, but is not sufficient for describing them at small (atomic and subatomic) scales. Most theories in classical physics can be derived from quantum mechanics as an approximation valid at large (macroscopic) scale. Quantum mechanics differs from classical physics in that energy, momentum, angular momentum, and other quantities of a bound system are restricted to discrete values ( quantization); objects have characteristics of both particles and waves (wave–particle duality); and there are limits to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Electronic State
A quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the nucleus, but can also refer to energy levels of nuclei or vibrational or rotational energy levels in molecules. The energy spectrum of a system with such discrete energy levels is said to be quantized. In chemistry and atomic physics, an electron shell, or principal energy level, may be thought of as the orbit of one or more electrons around an atom's nucleus. The closest shell to the nucleus is called the " shell" (also called "K shell"), followed by the " shell" (or "L shell"), then the " shell" (or "M shell"), and so on farther and farther from the nucleus. The shells correspond with the principal quant ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecule
A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are typically not consid ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Potential Energy
In physics, potential energy is the energy held by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors. Common types of potential energy include the gravitational potential energy of an object, the elastic potential energy of an extended spring, and the electric potential energy of an electric charge in an electric field. The unit for energy in the International System of Units (SI) is the joule, which has the symbol J. The term ''potential energy'' was introduced by the 19th-century Scottish engineer and physicist William Rankine, although it has links to Greek philosopher Aristotle's concept of potentiality. Potential energy is associated with forces that act on a body in a way that the total work done by these forces on the body depends only on the initial and final positions of the body in space. These forces, that are called ''conservative forces'', can be represented at every point in space by vec ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Vibration
A molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged. The typical vibrational frequencies range from less than 1013 Hz to approximately 1014 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm−1 and wavelengths of approximately 30 to 3 µm. For a diatomic molecule A−B, the vibrational frequency in s−1 is given by \nu = \frac \sqrt , where k is the force constant in dyne/cm or erg/cm2 and μ is the reduced mass given by \frac = \frac+\frac. The vibrational wavenumber in cm−1 is \tilde \;= \frac \sqrt, where c is the speed of light in cm/s. Vibrations of polyatomic molecules are described in terms of normal modes, which are independent of each other, but each normal mode involves simultaneous vibrations of different parts of the molecule. In general, a non-linear molecule with ''N'' atoms has 3''N'' – 6 normal modes of vibration, but a ''linear'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Excited State
In quantum mechanics, an excited state of a system (such as an atom, molecule or nucleus) is any quantum state of the system that has a higher energy than the ground state (that is, more energy than the absolute minimum). Excitation refers to an increase in energy level above a chosen starting point, usually the ground state, but sometimes an already excited state. The temperature of a group of particles is indicative of the level of excitation (with the notable exception of systems that exhibit negative temperature). The lifetime of a system in an excited state is usually short: spontaneous or induced emission of a quantum of energy (such as a photon or a phonon) usually occurs shortly after the system is promoted to the excited state, returning the system to a state with lower energy (a less excited state or the ground state). This return to a lower energy level is often loosely described as decay and is the inverse of excitation. Long-lived excited states are often called ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Metastable
In chemistry and physics, metastability denotes an intermediate Energy level, energetic state within a dynamical system other than the system's ground state, state of least energy. A ball resting in a hollow on a slope is a simple example of metastability. If the ball is only slightly pushed, it will settle back into its hollow, but a stronger push may start the ball rolling down the slope. Bowling pins show similar metastability by either merely wobbling for a moment or tipping over completely. A common example of metastability in science is isomerisation. Higher energy isomers are long lived because they are prevented from rearranging to their preferred ground state by (possibly large) barriers in the potential energy. During a metastable state of finite lifetime, all state-describing parameters reach and hold stationary values. In isolation: *the state of least energy is the only one the system will inhabit for an indefinite length of time, until more external energy is added ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Electronic Transition
Molecular electronic transitions take place when electrons in a molecule are excited from one energy level to a higher energy level. The energy change associated with this transition provides information on the structure of a molecule and determines many molecular properties such as colour. The relationship between the energy involved in the electronic transition and the frequency of radiation is given by Planck's relation. Organic molecules and other molecules The electronic transitions in organic compounds and some other compounds can be determined by ultraviolet–visible spectroscopy, provided that transitions in the ultraviolet (UV) or visible range of the electromagnetic spectrum exist for this compound. Electrons occupying a HOMO of a sigma bond can get excited to the LUMO of that bond. This process is denoted as a σ → σ* transition. Likewise promotion of an electron from a π-bonding orbital to an antibonding π orbital* is denoted as a π → π* transition. Au ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Dissociation (chemistry)
Dissociation in chemistry is a general process in which molecules (or ionic compounds such as salts, or complexes) separate or split into other things such as atoms, ions, or radicals, usually in a reversible manner. For instance, when an acid dissolves in water, a covalent bond between an electronegative atom and a hydrogen atom is broken by heterolytic fission, which gives a proton (H+) and a negative ion. Dissociation is the opposite of association or recombination. Dissociation constant For reversible dissociations in a chemical equilibrium :AB A + B the dissociation constant ''K''d is the ratio of dissociated to undissociated compound :K_d = \mathrm where the brackets denote the equilibrium concentrations of the species. Dissociation degree The dissociation degree \alpha is the fraction of original solute molecules that have dissociated. It is usually indicated by the Greek symbol α. More accurately, degree of dissociation refers to the amount of solute dissociated i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Bond
A chemical bond is a lasting attraction between atoms or ions that enables the formation of molecules and crystals. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds, or through the sharing of electrons as in covalent bonds. The strength of chemical bonds varies considerably; there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force and hydrogen bonding. Strong chemical bonding arises from the sharing or transfer of electrons between the participating atoms. Since opposite electric charges attract, the negatively charged electrons surrounding the nucleus and the positively charged protons within a nucleus attract each other. An electron positioned between two nuclei will be attracted to both of them, and the nuclei will be attracted toward electrons in this position. This attraction constitu ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Absorption Spectrum
Absorption spectroscopy refers to spectroscopic techniques that measure the absorption of 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. Absorption spectroscopy is employed as an analytical chemistry tool to determine the presence of a particular substance in a sample and, in many cases, to quantify the amount of the substance present. Infrared and ultraviolet–visible spectroscopy are particularly common in analytical applications. Absorption spectroscopy is also employed in studies of molecular and atomic physics, astronomical spectroscopy and remote sensing. There is a wide range of experimental approaches for measuring absorption spectra. The most common arrangement is to dire ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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