In quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the nucleus.
In atomic physics, the Bohr model or Rutherford–Bohr model was the first successful model of the atom. Developed from 1911 to 1918 by Niels Bohr and building on Ernest Rutherford's nuclear model, it supplanted the plum pudding model of J J Thomson only to be replaced by the quantum atomic model in the 1920s. It consists of a small, dense nucleus surrounded by orbiting electrons. It is analogous to the structure of the Solar System, but with attraction provided by electrostatic force rather than gravity, and with the electron energies quantized.
Infrared spectroscopy is the measurement of the interaction of infrared radiation with matter by absorption, emission, or reflection. It is used to study and identify chemical substances or functional groups in solid, liquid, or gaseous forms. It can be used to characterize new materials or identify and verify known and unknown samples. The method or technique of infrared spectroscopy is conducted with an instrument called an infrared spectrometer which produces an infrared spectrum. An IR spectrum can be visualized in a graph of infrared light absorbance on the vertical axis vs. frequency, wavenumber or wavelength on the horizontal axis. Typical units of wavenumber used in IR spectra are reciprocal centimeters, with the symbol cm−1. Units of IR wavelength are commonly given in micrometers, symbol μm, which are related to the wavenumber in a reciprocal way. A common laboratory instrument that uses this technique is a Fourier transform infrared (FTIR) spectrometer. Two-dimensional IR is also possible as discussed below.
The Zeeman effect is the splitting of a spectral line into several components in the presence of a static magnetic field. It is caused by interaction of the magnetic field with the magnetic moment of the atomic electron associated to its orbital motion and spin; this interaction shifts some orbital energies more than others, resulting in the split spectrum. The effect is named after the Dutch physicist Pieter Zeeman, who discovered it in 1896 and received a Nobel Prize in Physics for this discovery. It is analogous to the Stark effect, the splitting of a spectral line into several components in the presence of an electric field. Also similar to the Stark effect, transitions between different components have, in general, different intensities, with some being entirely forbidden, as governed by the selection rules.
In atomic physics, the Rydberg formula calculates the wavelengths of a spectral line in many chemical elements. The formula was primarily presented as a generalization of the Balmer series for all atomic electron transitions of hydrogen. It was first empirically stated in 1888 by the Swedish physicist Johannes Rydberg, then theoretically by Niels Bohr in 1913, who used a primitive form of quantum mechanics. The formula directly generalizes the equations used to calculate the wavelengths of the hydrogen spectral series.
The emission spectrum of a chemical element or chemical compound is the spectrum of frequencies of electromagnetic radiation emitted due to electrons making a transition from a high energy state to a lower energy state. The photon energy of the emitted photons is equal to the energy difference between the two states. There are many possible electron transitions for each atom, and each transition has a specific energy difference. This collection of different transitions, leading to different radiated wavelengths, make up an emission spectrum. Each element's emission spectrum is unique. Therefore, spectroscopy can be used to identify elements in matter of unknown composition. Similarly, the emission spectra of molecules can be used in chemical analysis of substances.
The Balmer series, or Balmer lines in atomic physics, is one of a set of six named series describing the spectral line emissions of the hydrogen atom. The Balmer series is calculated using the Balmer formula, an empirical equation discovered by Johann Balmer in 1885.
Rotational–vibrational spectroscopy is a branch of molecular spectroscopy that is concerned with infrared and Raman spectra of molecules in the gas phase. Transitions involving changes in both vibrational and rotational states can be abbreviated as rovibrational transitions. When such transitions emit or absorb photons, 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 spherical top molecules, rotational lines are found as simple progressions at both higher and lower frequencies relative to the pure vibration frequency. In symmetric top molecules the transitions are classified as parallel when the dipole moment change is parallel to the principal axis of rotation, and perpendicular when the change is perpendicular to that axis. The ro-vibrational spectrum of the asymmetric rotor water is important because of the presence of water vapor in the atmosphere.
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 of polar molecules can be measured in absorption or 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 where rotational, vibrational and electronic energy changes occur simultaneously.
In physics and chemistry, a selection rule, or transition rule, formally constrains the possible transitions of a system from one quantum state to another. Selection rules have been derived for electromagnetic transitions in molecules, in atoms, in atomic nuclei, and so on. The selection rules may differ according to the technique used to observe the transition. The selection rule also plays a role in chemical reactions, where some are formally spin-forbidden reactions, that is, reactions where the spin state changes at least once from reactants to products.
Moseley's law is an empirical law concerning the characteristic X-rays emitted by atoms. The law had been discovered and published by the English physicist Henry Moseley in 1913–1914. Until Moseley's work, "atomic number" was merely an element's place in the periodic table and was not known to be associated with any measurable physical quantity. In brief, the law states that the square root of the frequency of the emitted X-ray is approximately proportional to the atomic number:
In atomic, molecular, and optical physics, the Einstein coefficients are quantities describing the probability of absorption or emission of a photon by an atom or molecule. The Einstein A coefficients are related to the rate of spontaneous emission of light, and the Einstein B coefficients are related to the absorption and stimulated emission of light. Throughout this article, "light" refers to any electromagnetic radiation, not necessarily in the visible spectrum.
The emission spectrum of atomic hydrogen has been divided into a number of spectral series, with wavelengths given by the Rydberg formula. These observed spectral lines are due to the electron making transitions between two energy levels in an atom. The classification of the series by the Rydberg formula was important in the development of quantum mechanics. The spectral series are important in astronomical spectroscopy for detecting the presence of hydrogen and calculating red shifts.
The Rydberg–Ritz combination principle is an empirical rule proposed by Walther Ritz in 1908 to describe the relationship of the spectral lines for all atoms, as a generalization of an earlier rule by Johannes Rydberg for the hydrogen atom and the alkali metals. The principle states that the spectral lines of any element include frequencies that are either the sum or the difference of the frequencies of two other lines. Lines of the spectra of elements could be predicted from existing lines. Since the frequency of light is proportional to the wavenumber or reciprocal wavelength, the principle can also be expressed in terms of wavenumbers which are the sum or difference of wavenumbers of two other lines.
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.
The Pickering series (also known as the Pickering–Fowler series) consists of three lines of singly ionised helium found, usually in absorption, in the spectra of hot stars like Wolf–Rayet stars. The name comes from Edward Charles Pickering and Alfred Fowler. The lines are produced by transitions from a higher energy level of an electron to a level with principal quantum number n = 4. The lines have wavelengths:
Vibronic spectroscopy is a branch of molecular spectroscopy concerned with vibronic transitions: the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. In the gas phase, vibronic transitions are also accompanied by changes in rotational energy.
Iron(I) hydride, systematically named iron hydride and poly(hydridoiron) is a solid inorganic compound with the chemical formula (FeH)
n (also written ([FeH])
n or FeH). It is both thermodynamically and kinetically unstable toward decomposition at ambient temperature, and as such, little is known about its bulk properties.
The sharp series is a series of spectral lines in the atomic emission spectrum caused when electrons descend from higher-energy s orbitals of an atom to the lowest available p orbital. The spectral lines include some in the visible light, and they extend into the ultraviolet. The lines get closer and closer together as the frequency increases never exceeding the series limit. The sharp series was important in the development of the understanding of electron shells and subshells in atoms. The sharp series has given the letter s to the s atomic orbital or subshell.
The diffuse series is a series of spectral lines in the atomic emission spectrum caused when electrons jump between the lowest p orbital and d orbitals of an atom. The total orbital angular momentum changes between 1 and 2. The spectral lines include some in the visible light, and may extend into ultraviolet or near infrared. The lines get closer and closer together as the frequency increases never exceeding the series limit. The diffuse series was important in the development of the understanding of electron shells and subshells in atoms. The diffuse series has given the letter d to the d atomic orbital or subshell.
