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J-coupling
In nuclear chemistry and nuclear physics, ''J''-couplings (also called spin-spin coupling or indirect dipole–dipole coupling) are mediated through chemical bonds connecting two spins. It is an indirect interaction between two nuclear spins that arises from hyperfine interactions between the nuclei and local electrons. In NMR spectroscopy, ''J''-coupling contains information about relative bond distances and angles. Most importantly, ''J''-coupling provides information on the connectivity of chemical bonds. It is responsible for the often complex splitting of resonance lines in the NMR spectra of fairly simple molecules. ''J''-coupling is a frequency ''difference'' that is not affected by the strength of the magnetic field, so is always stated in Hz. Vector model and manifestations for chemical structure assignments The origin of ''J''-coupling can be visualized by a vector model for a simple molecule such as hydrogen fluoride (HF). In HF, the two nuclei have spin . Four state ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nuclear Magnetic Resonance Spectroscopy
Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique to observe local magnetic fields around atomic nuclei. The sample is placed in a magnetic field and the NMR signal is produced by excitation of the nuclei sample with radio waves into nuclear magnetic resonance, which is detected with sensitive radio receivers. The intramolecular magnetic field around an atom in a molecule changes the resonance frequency, thus giving access to details of the electronic structure of a molecule and its individual functional groups. As the fields are unique or highly characteristic to individual compounds, in modern organic chemistry practice, NMR spectroscopy is the definitive method to identify monomolecular organic compounds. The principle of NMR usually involves three sequential steps: # The alignment (polarization) of the magnetic nuclear spins in an applied, constant magnetic field B0. # The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Earth's Field NMR
Nuclear magnetic resonance (NMR) in the geomagnetic field is conventionally referred to as Earth's field NMR (EFNMR). EFNMR is a special case of low field NMR. When a sample is placed in a constant magnetic field and stimulated (perturbed) by a time-varying (e.g., pulsed or alternating) magnetic field, NMR active nuclei resonate at characteristic frequencies. Examples of such NMR active nuclei are the isotopes carbon-13 and hydrogen-1 (which in NMR is conventionally known as proton NMR). The resonant frequency of each isotope is directly proportional to the strength of the applied magnetic field, and the magnetogyric or gyromagnetic ratio of that isotope. The signal strength is proportional both to the stimulating magnetic field and the number of nuclei of that isotope in the sample. Thus in the 21 tesla magnetic field that may be found in high resolution laboratory NMR spectrometers, protons resonate at 900 MHz. However, in the Earth's magnetic field the same nuclei res ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Charles Pence Slichter
Charles Pence Slichter (January 21, 1924 – February 19, 2018) was an American physicist, best known for his work on nuclear magnetic resonance and superconductivity. He was awarded the 2007 National Medal of Science "for establishing nuclear magnetic resonance as a powerful tool to reveal the fundamental molecular properties of liquids and solids. His inspired teaching has led generations of physicists and chemists to develop a host of modern technologies in condensed matter physics, chemistry, biology and medicine." Birth and education Slichter was born in 1924 in Ithaca, New York. He attended Harvard University, where in 1949 received his Ph.D. under the supervision of Edward Purcell. Career Slichter was a professor of physics and chemistry at the University of Illinois at Urbana-Champaign from 1949 until his retirement in 2006. He spent one sabbatical semester (Spring 1961) as Morris Loeb Lecturer at Harvard University. The lectures he gave there formed the nucleus ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Shift
In nuclear magnetic resonance (NMR) spectroscopy, the chemical shift is the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule. Chemical shifts are also used to describe signals in other forms of spectroscopy such as photoemission spectroscopy. Some atomic nuclei possess a magnetic moment (nuclear spin), which gives rise to different energy levels and resonance frequencies in a magnetic field. The total magnetic field experienced by a nucleus includes local magnetic fields induced by currents of electrons in the molecular orbitals (note that electrons have a magnetic moment themselves). The electron distribution of the same type of nucleus (e.g. ) usually varies according to the local geometry (binding partners, bond lengths, angles between bonds, and so on), and with it the local magnetic field at each nucleus. This is reflected in the spin energy ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Residual Dipolar Coupling
The residual dipolar coupling between two spins in a molecule occurs if the molecules in solution exhibit a partial alignment leading to an incomplete averaging of spatially anisotropic dipolar couplings. Partial molecular alignment leads to an incomplete averaging of anisotropic magnetic interactions such as the magnetic dipole-dipole interaction (also called dipolar coupling), the chemical shift anisotropy, or the electric quadrupole interaction. The resulting so-called ''residual'' anisotropic magnetic interactions are becoming increasingly important in biomolecular NMR spectroscopy. History and pioneering works NMR spectroscopy in partially oriented media was first discovered in 1963, and in a very fundamental paper Alfred Saupe was also able to present the essential theory to describe and understand the observable phenomena only one year later. After this initiation a flood of NMR spectra in various liquid crystalline phases was reported (see ''e.g.'' ). A second techni ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fermi Contact Interaction
The Fermi contact interaction is the magnetic interaction between an electron and an atomic nucleus. Its major manifestation is in electron paramagnetic resonance and nuclear magnetic resonance spectroscopies, where it is responsible for the appearance of isotropic hyperfine coupling. This requires that the electron occupy an s-orbital. The interaction is described with the parameter ''A'', which takes the units megahertz. The magnitude of ''A'' is given by this relationships : A = -\frac \pi \left \langle \boldsymbol_n \cdot \boldsymbol_e \right \rangle , \Psi (0), ^2\qquad \mbox and : A = -\frac \mu_0 \left \langle \boldsymbol_n \cdot \boldsymbol_e \right \rangle , \Psi(0), ^2, \qquad \mbox where ''A'' is the energy of the interaction, ''μ''''n'' is the nuclear magnetic moment, ''μ''''e'' is the electron magnetic dipole moment In atomic physics, the electron magnetic moment, or more specifically the electron magnetic dipole moment, is the magnetic moment of an electron re ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Karplus Equation
The Karplus equation, named after Martin Karplus, describes the correlation between 3J-coupling constants and dihedral torsion angles in nuclear magnetic resonance spectroscopy: :J(\phi) = A \cos^2 \phi + B \cos\,\phi + C where ''J'' is the 3''J'' coupling constant, \phi is the dihedral angle, and ''A'', ''B'', and ''C'' are empirically derived parameters whose values depend on the atoms and substituents involved. The relationship may be expressed in a variety of equivalent ways e.g. involving cos2 φ rather than cos 2φ —these lead to different numerical values of ''A'', ''B'', and ''C'' but do not change the nature of the relationship. The relationship is used for 3''J''H,H coupling constants. The superscript "3" indicates that a 1H atom is coupled to another 1H atom three bonds away, via H-C-C-H bonds. (Such hydrogens bonded to neighbouring carbon atoms are termed vicinal). The magnitude of these couplings are generally smallest when the torsion angle is close to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Isotopomer
Isotopomers or isotopic isomers are isomers with isotopic atoms, having the same number of each isotope of each element but differing in their positions. The result is that the molecules are either constitutional isomers or stereoisomers solely based on isotopic location. For example: CH3CHDCH3 and CH3CH2CH2D are a pair of constitutional isotopomers of propane. (''R'')- and (''S'')-CH3CHDOH are isotopic stereoisomers of ethanol. (''Z'')- and (''E'')-CH3CH=CHD are examples of isotopic stereoisomers of propene. The term isotopomer was first proposed by Seeman and Paine in 1992 to distinguish isotopic isomers from isotopologues (isotopic homologues). 13C-NMR In nuclear magnetic resonance spectroscopy, the highly abundant 12C isotope does not produce any signal whereas the comparably rare 13C isotope is easily detected. As a result, carbon isotopomers of a compound can be studied by carbon-13 NMR to learn about the different carbon atoms in the structure. Each individual ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Carbon-13 NMR
Carbon-13 (C13) nuclear magnetic resonance (most commonly known as carbon-13 NMR spectroscopy or 13C NMR spectroscopy or sometimes simply referred to as carbon NMR) is the application of nuclear magnetic resonance (NMR) spectroscopy to carbon. It is analogous to proton NMR ( NMR) and allows the identification of carbon atoms in an organic molecule just as proton NMR identifies hydrogen atoms. 13C NMR detects only the isotope. The main carbon isotope, is not detected. Although much less sensitive than 1H NMR spectroscopy, 13C NMR spectroscopy is widely used for characterizing organic and organometallic compounds. Chemical shifts 13C NMR chemical shifts follow the same principles as those of 1H, although the typical range of chemical shifts is much larger than for 1H (by a factor of about 20). The chemical shift reference standard for 13C is the carbons in tetramethylsilane (TMS), whose chemical shift is considered to be 0.0 ppm. ImageSize = width:540 height:440 AlignBar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nuclear Magnetic Resonance Decoupling
Nuclear magnetic resonance decoupling (NMR decoupling for short) is a special method used in nuclear magnetic resonance (NMR) spectroscopy where a sample to be analyzed is irradiated at a certain frequency or frequency range to eliminate fully or partially the effect of coupling between certain nuclei. NMR coupling refers to the effect of nuclei on each other in atoms within a couple of bonds distance of each other in molecules. This effect causes NMR signals in a spectrum to be split into multiple peaks. Decoupling fully or partially eliminates splitting of the signal between the nuclei irradiated and other nuclei such as the nuclei being analyzed in a certain spectrum. NMR spectroscopy and sometimes decoupling can help determine structures of chemical compounds. Explanation NMR spectroscopy of a sample produces an NMR spectrum, which is essentially a graph of signal intensity on the vertical axis vs. chemical shift for a certain isotope on the horizontal axis. The sign ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Radio Frequency
Radio frequency (RF) is the oscillation rate of an alternating electric current or voltage or of a magnetic, electric or electromagnetic field or mechanical system in the frequency range from around to around . This is roughly between the upper limit of audio frequencies and the lower limit of infrared frequencies; these are the frequencies at which energy from an oscillating current can radiate off a conductor into space as radio waves. Different sources specify different upper and lower bounds for the frequency range. Electric current Electric currents that oscillate at radio frequencies (RF currents) have special properties not shared by direct current or lower audio frequency alternating current, such as the 50 or 60 Hz current used in electrical power distribution. * Energy from RF currents in conductors can radiate into space as electromagnetic waves ( radio waves). This is the basis of radio technology. * RF current does not penetrate deeply into electri ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Singlet State
In quantum mechanics, a singlet state usually refers to a system in which all electrons are paired. The term 'singlet' originally meant a linked set of particles whose net angular momentum is zero, that is, whose overall spin quantum number s=0. As a result, there is only one spectral line of a singlet state. In contrast, a doublet state contains one unpaired electron and shows splitting of spectral lines into a doublet; and a triplet state has two unpaired electrons and shows threefold splitting of spectral lines. History Singlets and the related spin concepts of doublets and triplets occur frequently in atomic physics and nuclear physics, where one often needs to determine the total spin of a collection of particles. Since the only observed fundamental particle with zero spin is the extremely inaccessible Higgs boson, singlets in everyday physics are necessarily composed of sets of particles whose individual spins are non-zero, e.g. or 1. The origin of the term "singlet" ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
