Spectroscopic Line Shape
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Spectroscopic Line Shape
Spectral line shape describes the form of a feature, observed in spectroscopy, corresponding to an energy change in an atom, molecule or ion. This shape is also referred to as the spectral line profile. Ideal line shapes include Lorentzian, Gaussian and Voigt functions, whose parameters are the line position, maximum height and half-width. Actual line shapes are determined principally by Doppler, collision and proximity broadening. For each system the half-width of the shape function varies with temperature, pressure (or concentration) and phase. A knowledge of shape function is needed for spectroscopic curve fitting and deconvolution. Origins An atomic transition is associated with a specific amount of energy, ''E''. However, when this energy is measured by means of some spectroscopic technique, the line is not infinitely sharp, but has a particular shape. Numerous factors can contribute to the broadening of spectral lines. Broadening can only be mitigated by the use of sp ...
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Spectroscopy
Spectroscopy 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) In simpler terms, spectroscopy is the precise study of color as generalized from visible light to all bands of the electromagnetic spectrum. Historically, spectroscopy originated as the study of the wavelength dependence of the absorption by gas phase matter of visible light dispersed by a prism. 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 an ...
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Hydrogen Bonding
In chemistry, a hydrogen bond (or H-bond) is a primarily electrostatic force of attraction between a hydrogen (H) atom which is covalently bound 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 , 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 second-row elements nitrogen (N), oxygen (O), and fluorine (F). Hydrogen bonds can be intermolecular (occurring between separate molecules) or intramolecular (occurring among parts of the same molecule). The energy of a hydrogen bond depends on the geometry, the environment, and the nature of the specific donor and acceptor atoms and can vary between 1 and 40 kcal/mol. This makes them somewhat stronger than a van der Waals interaction, and weaker than fully covalent o ...
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Electron Paramagnetic Resonance
Electron paramagnetic resonance (EPR) or electron spin resonance (ESR) spectroscopy is a method for studying materials that have unpaired electrons. The basic concepts of EPR are analogous to those of nuclear magnetic resonance (NMR), but the spins excited are those of the electrons instead of the atomic nuclei. EPR spectroscopy is particularly useful for studying metal complexes and organic radicals. EPR was first observed in Kazan State University by Soviet physicist Yevgeny Zavoisky in 1944, and was developed independently at the same time by Brebis Bleaney at the University of Oxford. Theory Origin of an EPR signal Every electron has a magnetic moment and spin quantum number s = \tfrac , with magnetic components m_\mathrm = + \tfrac or m_\mathrm = - \tfrac . In the presence of an external magnetic field with strength B_\mathrm , the electron's magnetic moment aligns itself either antiparallel ( m_\mathrm = - \tfrac ) or parallel ( m_\mathrm = + \tfrac ) to the fi ...
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Dimensionless
A dimensionless quantity (also known as a bare quantity, pure quantity, or scalar quantity as well as quantity of dimension one) is a quantity to which no physical dimension is assigned, with a corresponding SI unit of measurement of one (or 1), ISBN 978-92-822-2272-0. which is not explicitly shown. Dimensionless quantities are widely used in many fields, such as mathematics, physics, chemistry, engineering, and economics. Dimensionless quantities are distinct from quantities that have associated dimensions, such as time (measured in seconds). Dimensionless units are dimensionless values that serve as units of measurement for expressing other quantities, such as radians (rad) or steradians (sr) for plane angles and solid angles, respectively. For example, optical extent is defined as having units of metres multiplied by steradians. History Quantities having dimension one, ''dimensionless quantities'', regularly occur in sciences, and are formally treated within the field o ...
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Electromagnetic Spectrum
The electromagnetic spectrum is the range of frequencies (the spectrum) of electromagnetic radiation and their respective wavelengths and photon energies. The electromagnetic spectrum covers electromagnetic waves with frequencies ranging from below one hertz to above 1025 hertz, corresponding to wavelengths from thousands of kilometers down to a fraction of the size of an atomic nucleus. This frequency range is divided into separate bands, and the electromagnetic waves within each frequency band are called by different names; beginning at the low frequency (long wavelength) end of the spectrum these are: radio waves, microwaves, infrared, visible light, ultraviolet, X-rays, and gamma rays at the high-frequency (short wavelength) end. The electromagnetic waves in each of these bands have different characteristics, such as how they are produced, how they interact with matter, and their practical applications. There is no known limit for long and short wavelengths. Extre ...
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Wavenumber
In the physical sciences, the wavenumber (also wave number or repetency) is the '' spatial frequency'' of a wave, measured in cycles per unit distance (ordinary wavenumber) or radians per unit distance (angular wavenumber). It is analogous to temporal frequency, which is defined as the number of wave cycles per unit time (''ordinary frequency'') or radians per unit time (''angular frequency''). In multidimensional systems, the wavenumber is the magnitude of the '' wave vector''. The space of wave vectors is called '' reciprocal space''. Wave numbers and wave vectors play an essential role in optics and the physics of wave scattering, such as X-ray diffraction, neutron diffraction, electron diffraction, and elementary particle physics. For quantum mechanical waves, the wavenumber multiplied by the reduced Planck's constant is the '' canonical momentum''. Wavenumber can be used to specify quantities other than spatial frequency. For example, in optical spectroscopy, it is of ...
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Full Width At Half Maximum
In a distribution, full width at half maximum (FWHM) is the difference between the two values of the independent variable at which the dependent variable is equal to half of its maximum value. In other words, it is the width of a spectrum curve measured between those points on the ''y''-axis which are half the maximum amplitude. Half width at half maximum (HWHM) is half of the FWHM if the function is symmetric. The term full duration at half maximum (FDHM) is preferred when the independent variable is time. FWHM is applied to such phenomena as the duration of pulse waveforms and the spectral width of sources used for optical communications and the resolution of spectrometers. The convention of "width" meaning "half maximum" is also widely used in signal processing to define bandwidth as "width of frequency range where less than half the signal's power is attenuated", i.e., the power is at least half the maximum. In signal processing terms, this is at most −3  dB of attenuati ...
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Normalizing Constant
The concept of a normalizing constant arises in probability theory and a variety of other areas of mathematics. The normalizing constant is used to reduce any probability function to a probability density function with total probability of one. Definition In probability theory, a normalizing constant is a constant by which an everywhere non-negative function must be multiplied so the area under its graph is 1, e.g., to make it a probability density function or a probability mass function. Examples If we start from the simple Gaussian function p(x)=e^, \quad x\in(-\infty,\infty) we have the corresponding Gaussian integral \int_^\infty p(x) \, dx = \int_^\infty e^ \, dx = \sqrt, Now if we use the latter's reciprocal value as a normalizing constant for the former, defining a function \varphi(x) as \varphi(x) = \frac p(x) = \frac e^ so that its integral is unit \int_^\infty \varphi(x) \, dx = \int_^\infty \frac e^ \, dx = 1 then the function \varphi(x) is a probability d ...
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Statistics
Statistics (from German: '' Statistik'', "description of a state, a country") is the discipline that concerns the collection, organization, analysis, interpretation, and presentation of data. In applying statistics to a scientific, industrial, or social problem, it is conventional to begin with a statistical population or a statistical model to be studied. Populations can be diverse groups of people or objects such as "all people living in a country" or "every atom composing a crystal". Statistics deals with every aspect of data, including the planning of data collection in terms of the design of surveys and experiments.Dodge, Y. (2006) ''The Oxford Dictionary of Statistical Terms'', Oxford University Press. When census data cannot be collected, statisticians collect data by developing specific experiment designs and survey samples. Representative sampling assures that inferences and conclusions can reasonably extend from the sample to the population as a whole. An ...
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Cauchy Distribution
The Cauchy distribution, named after Augustin Cauchy, is a continuous probability distribution. It is also known, especially among physicists, as the Lorentz distribution (after Hendrik Lorentz), Cauchy–Lorentz distribution, Lorentz(ian) function, or Breit–Wigner distribution. The Cauchy distribution f(x; x_0,\gamma) is the distribution of the -intercept of a ray issuing from (x_0,\gamma) with a uniformly distributed angle. It is also the distribution of the ratio of two independent normally distributed random variables with mean zero. The Cauchy distribution is often used in statistics as the canonical example of a "pathological" distribution since both its expected value and its variance are undefined (but see below). The Cauchy distribution does not have finite moments of order greater than or equal to one; only fractional absolute moments exist., Chapter 16. The Cauchy distribution has no moment generating function. In mathematics, it is closely related to the P ...
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Voigt DistributionPDF
Voigt (mainly written Vogt, also Voight) is a German surname, and may refer to: *Alexander Voigt, German football player * Angela Voigt, East German long jumper * Christian August Voigt (1808–1890), Austrian anatomist * Cynthia Voigt, author of books for young adults *Deborah Voigt, American opera singer * Edward Voigt, born in Bremen, Germany, former U.S. Representative from Wisconsin *Edwin Edgar Voigt, bishop *Ellen Bryant Voigt, German American poet *Erika Voigt, actress *Frank Voigt, musician; flute player in the 1970s progressive rock band Think *Frederick Augustus Voigt (1892–1957), British journalist and author of German descent * Friedrich Siegmund (Sigismund) Voigt (Voight) ( 1781 - 1850), German botanist and zoologist * Georg Voigt, German historian *Harry Voigt, German Olympic athlete *Irma Voigt (1882–1953), Dean of Women at Ohio University *Jaap Voigt (born 1941), Dutch field hockey player *Jack Voigt, baseball player *Jan Voigt, actor *Jens Voigt, profession ...
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Gauss And Lorentz Lineshapes
Johann Carl Friedrich Gauss (; german: Gauß ; la, Carolus Fridericus Gauss; 30 April 177723 February 1855) was a German mathematician and physicist who made significant contributions to many fields in mathematics and science. Sometimes referred to as the ''Princeps mathematicorum'' () and "the greatest mathematician since antiquity", Gauss had an exceptional influence in many fields of mathematics and science, and he is ranked among history's most influential mathematicians. Also available at Retrieved 23 February 2014. Comprehensive biographical article. Biography Early years Johann Carl Friedrich Gauss was born on 30 April 1777 in Brunswick (Braunschweig), in the Duchy of Brunswick-Wolfenbüttel (now part of Lower Saxony, Germany), to poor, working-class parents. His mother was illiterate and never recorded the date of his birth, remembering only that he had been born on a Wednesday, eight days before the Feast of the Ascension (which occurs 39 days after Easter). Ga ...
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