Rotational–vibrational Spectroscopy
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Rotational–vibrational Spectroscopy
Rotational–vibrational spectroscopy is a branch of molecular spectroscopy that is concerned with Infrared spectroscopy, infrared and Raman spectroscopy, Raman spectra of molecules in the Gas, gas phase. Transitions involving changes in both Molecular vibration, vibrational and Rotational transition, rotational Quantum state, states can be abbreviated as rovibrational (or ro-vibrational) transitions. When such transitions emit or absorb photons (electromagnetic radiation), the frequency is proportional to the difference in energy levels and can be detected by certain kinds of spectroscopy. Since changes in rotational energy levels are typically much smaller than changes in vibrational energy levels, changes in rotational state are said to give fine structure to the vibrational spectrum. For a given vibrational transition, the same theoretical treatment as for pure rotational spectroscopy gives the rotational quantum numbers, energy levels, and selection rules. In linear and spheric ...
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Spectroscopy
Spectroscopy is the field of study that measures and interprets electromagnetic spectra. In narrower contexts, spectroscopy is the precise study of color as generalized from visible light to all bands of the electromagnetic spectrum. Spectroscopy, primarily in the electromagnetic spectrum, is a fundamental exploratory tool in the fields of astronomy, chemistry, materials science, and physics, allowing the composition, physical structure and electronic structure of matter to be investigated at the atomic, molecular and macro scale, and over astronomical distances. Historically, spectroscopy originated as the study of the wavelength dependence of the absorption by gas phase matter of visible light dispersed by a prism. Current applications of spectroscopy include biomedical spectroscopy in the areas of tissue analysis and medical imaging. Matter waves and acoustic waves can also be considered forms of radiative energy, and recently gravitational waves have been associa ...
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Rotational Spectroscopy
Rotational spectroscopy is concerned with the measurement of the energies of transitions between quantized rotational states of molecules in the gas phase. The rotational spectrum (power spectral density vs. rotational frequency) of chemical polarity, polar molecules can be measured in Absorption (optics), absorption or Emission (electromagnetic radiation), emission by microwave spectroscopy or by far infrared spectroscopy. The rotational spectra of non-polar molecules cannot be observed by those methods, but can be observed and measured by Raman spectroscopy. Rotational spectroscopy is sometimes referred to as ''pure'' rotational spectroscopy to distinguish it from rotational-vibrational spectroscopy where changes in rotational energy occur together with changes in vibrational energy, and also from ro-vibronic spectroscopy (or just vibronic spectroscopy) where rotational, vibrational and electronic energy changes occur simultaneously. For rotational spectroscopy, molecules are cl ...
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Zero-point Energy
Zero-point energy (ZPE) is the lowest possible energy that a quantum mechanical system may have. Unlike in classical mechanics, quantum systems constantly Quantum fluctuation, fluctuate in their lowest energy state as described by the Heisenberg uncertainty principle. Therefore, even at absolute zero, atoms and molecules retain some vibrational motion. Apart from atoms and molecules, the empty space of Vacuum state, the vacuum also has these properties. According to quantum field theory, the universe can be thought of not as isolated particles but continuous fluctuating Field (physics), fields: matter fields, whose Quantum, quanta are fermions (i.e., leptons and quarks), and Force field (physics), force fields, whose quanta are bosons (e.g., photons and gluons). All these fields have zero-point energy. These fluctuating zero-point fields lead to a kind of reintroduction of an Luminiferous aether, aether in physics since some systems can detect the existence of this energy. How ...
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Carbon Monoxide
Carbon monoxide (chemical formula CO) 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 oxocarbon, carbon oxide. In coordination complexes, the carbon monoxide ligand is called ''metal carbonyl, carbonyl''. It is a key ingredient in many processes in industrial chemistry. The most common source of carbon monoxide is the partial combustion of carbon-containing compounds. Numerous environmental and biological sources generate carbon monoxide. In industry, carbon monoxide is important in the production of many compounds, including drugs, fragrances, and fuels. Indoors CO is one of the most acutely toxic contaminants affecting indoor air quality. CO may be emitted from tobacco smoke and generated from malfunctioning fuel-burning stoves (wood, kerosene, natural gas, propane) and fuel-burning heating systems (wood, oil, n ...
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NO R-branch
No or NO may refer to: Linguistics and symbols * ''Yes'' and ''no'', responses * No, an English determiner in noun phrases * No (kana) (, ), a letter/syllable in Japanese script * No symbol (🚫), the general prohibition sign * Numero sign ( or No.), a typographic symbol for the word "number" * Norwegian language (ISO 639-1 code "no") Places * Niederösterreich (''NÖ''), Lower Austria * Norway (ISO 3166-1 country code NO, internet top level domain .no) * No, Denmark, a village in Denmark * Nō, Niigata, a former town in Japan * No Creek (other), several streams * Lake No, in South Sudan * New Orleans, Louisiana, US or its professional sports teams: ** New Orleans Saints of the National Football League ** New Orleans Pelicans of the National Basketball Association * Province of Novara (Piedmonte, Italy), province code NO Arts and entertainment Film and television * ''No'' (2012 film), a 2012 Chilean film * ''Nô'' (film), a 1998 Canadian film * Julius No, the titular ...
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Dunham Expansion
In quantum chemistry, the Dunham expansion is an expression for the rotational-vibrational energy levels of a diatomic molecule: : E(v,J,\Omega) = \sum_ Y_ (v+1/2)^k (J+1) - \Omega^2l, where v and J are the vibrational and rotational quantum numbers, and \Omega is the projection of J along the internuclear axis in the body-fixed frame. The constant coefficients Y_ are called Dunham parameters with Y_ representing the electronic energy. The expression derives from a semiclassical treatment of a perturbational approach to deriving the energy levels. The Dunham parameters are typically calculated by a least-squares The method of least squares is a mathematical optimization technique that aims to determine the best fit function by minimizing the sum of the squares of the differences between the observed values and the predicted values of the model. The me ... fitting procedure of energy levels with the quantum numbers. Relation to conventional band spectrum constants Thi ...
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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 ...
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Centre Of Mass
In physics, the center of mass of a distribution of mass in space (sometimes referred to as the barycenter or balance point) is the unique point at any given time where the weighted relative position of the distributed mass sums to zero. For a rigid body containing its center of mass, this is the point to which a force may be applied to cause a linear acceleration without an angular acceleration. Calculations in mechanics are often simplified when formulated with respect to the center of mass. It is a hypothetical point where the entire mass of an object may be assumed to be concentrated to visualise its motion. In other words, the center of mass is the particle equivalent of a given object for application of Newton's laws of motion. In the case of a single rigid body, the center of mass is fixed in relation to the body, and if the body has uniform density, it will be located at the centroid. The center of mass may be located outside the physical body, as is sometimes the cas ...
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Anharmonicity
In classical mechanics, anharmonicity is the deviation of a system from being a harmonic oscillator. An oscillator that is not oscillating in harmonic motion is known as an anharmonic oscillator where the system can be approximated to a harmonic oscillator and the anharmonicity can be calculated using perturbation theory. If the anharmonicity is large, then other numerical techniques have to be used. In reality all oscillating systems are anharmonic, but most approximate the harmonic oscillator the smaller the amplitude of the oscillation is. As a result, oscillations with frequencies 2\omega and 3\omega etc., where \omega is the fundamental frequency of the oscillator, appear. Furthermore, the frequency \omega deviates from the frequency \omega_0 of the harmonic oscillations. See also intermodulation and combination tones. As a first approximation, the frequency shift \Delta \omega=\omega-\omega_0 is proportional to the square of the oscillation amplitude A: :\Delta \omeg ...
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Appendix
Appendix (: appendices or appendixes) may refer to: __NOTOC__ In documents * Addendum, an addition made to a document by its author after its initial printing or publication * Bibliography, a systematic list of books and other works * Index (publishing), a list of words or phrases with pointers to where related material can be found in a document Anatomy * Appendix (anatomy), a part of the human digestive system * A part of the spadix of certain plants within family Araceae Arts and media * Appendix (band), a Finnish punk rock group * ''The Appendix ''The Appendix'' was an online magazine of "narrative and experimental history." It was co-founded in the fall of 2012 by Benjamin Breen, Felipe Cruz, Christopher Heaney, and Brian Jones. A stated goal of the journal is that "scholarly and popul ...
'', a quarterly journal of history and culture {{disambiguation ...
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