In atomic theory and quantum mechanics, an atomic orbital is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term atomic orbital may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital.
In atomic physics, the Bohr model or Rutherford–Bohr model of the atom, presented by Niels Bohr and Ernest Rutherford in 1913, 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.
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 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.
In physics and chemistry, the Lyman series is a hydrogen spectral series of transitions and resulting ultraviolet emission lines of the hydrogen atom as an electron goes from n ≥ 2 to n = 1, the lowest energy level of the electron. The transitions are named sequentially by Greek letters: from n = 2 to n = 1 is called Lyman-alpha, 3 to 1 is Lyman-beta, 4 to 1 is Lyman-gamma, and so on. The series is named after its discoverer, Theodore Lyman. The greater the difference in the principal quantum numbers, the higher the energy of the electromagnetic emission.
Rotational–vibrational spectroscopy is a branch of molecular spectroscopy 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.
In atomic physics, hyperfine structure is defined by small shifts in otherwise degenerate energy levels and the resulting splittings in those energy levels of atoms, molecules, and ions, due to electromagnetic multipole interaction between the nucleus and electron clouds.
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.
The Aufbau principle, also called the Aufbau rule, states that in the ground state of an atom or ion, electrons fill subshells of the lowest available energy, then they fill subshells of higher energy. For example, the 1s subshell is filled before the 2s subshell is occupied. In this way, the electrons of an atom or ion form the most stable electron configuration possible. An example is the configuration 1s2 2s2 2p6 3s2 3p3 for the phosphorus atom, meaning that the 1s subshell has 2 electrons, and so on.
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:
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.
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 accompanied by changes in rotational energy also.
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.
