Deuterated solvents are a group of compounds where one or more hydrogen atoms are substituted by deuterium atoms.
These isotopologues of common solvents are often used in nuclear magnetic resonance spectroscopy. [1]
Deuterated solvents are a group of compounds where one or more hydrogen atoms are substituted by deuterium atoms.
These isotopologues of common solvents are often used in nuclear magnetic resonance spectroscopy. [1]
Deuterium is one of two stable isotopes of hydrogen. The nucleus of a deuterium atom, called a deuteron, contains one proton and one neutron, whereas the far more common protium has no neutrons in the nucleus. Deuterium has a natural abundance in Earth's oceans of about one atom of deuterium among every 6,420 atoms of hydrogen. Thus deuterium accounts for approximately 0.0156% by number of all the naturally occurring hydrogen in the oceans, while protium accounts for more than 99.98%. The abundance of deuterium changes slightly from one kind of natural water to another.
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.
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. This spectroscopy is based on the measurement of absorption of electromagnetic radiations in the radio frequency region from roughly 4 to 900 MHz. Absorption of radio waves in the presence of magnetic field is accompanied by a special type of nuclear transition, and for this reason, such type of spectroscopy is known as Nuclear Magnetic Resonance Spectroscopy. 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.
Tetramethylsilane (abbreviated as TMS) is the organosilicon compound with the formula Si(CH3)4. It is the simplest tetraorganosilane. Like all silanes, the TMS framework is tetrahedral. TMS is a building block in organometallic chemistry but also finds use in diverse niche applications.
Proton nuclear magnetic resonance is the application of nuclear magnetic resonance in NMR spectroscopy with respect to hydrogen-1 nuclei within the molecules of a substance, in order to determine the structure of its molecules. In samples where natural hydrogen (H) is used, practically all the hydrogen consists of the isotope 1H.
Hydrogen–deuterium exchange is a chemical reaction in which a covalently bonded hydrogen atom is replaced by a deuterium atom, or vice versa. It can be applied most easily to exchangeable protons and deuterons, where such a transformation occurs in the presence of a suitable deuterium source, without any catalyst. The use of acid, base or metal catalysts, coupled with conditions of increased temperature and pressure, can facilitate the exchange of non-exchangeable hydrogen atoms, so long as the substrate is robust to the conditions and reagents employed. This often results in perdeuteration: hydrogen-deuterium exchange of all non-exchangeable hydrogen atoms in a molecule.
In a chemical analysis, the internal standard method involves adding the same amount of a chemical substance to each sample and calibration solution. The internal standard responds proportionally to changes in the analyte and provides a similar, but not identical, measurement signal. It must also be absent from the sample matrix to ensure there is no other source of the internal standard present. Taking the ratio of analyte signal to internal standard signal and plotting it against the analyte concentrations in the calibration solutions will result in a calibration curve. The calibration curve can then be used to calculate the analyte concentration in an unknown sample.
An NMR tube is a thin glass walled tube used to contain samples in nuclear magnetic resonance spectroscopy. Typically NMR tubes come in 5 mm diameters but 10 mm and 3 mm samples are known. It is important that the tubes are uniformly thick and well-balanced to ensure that NMR tube spins at a regular rate, usually about 20 Hz in the NMR spectrometer.
Deuterated chloroform, also known as chloroform-d, is the organic compound with the formula CDCl3 or C2HCl3. Deuterated chloroform is a common solvent used in NMR spectroscopy. The properties of CDCl3 and ordinary CHCl3 (chloroform) are virtually identical.
Deuterated acetone ((CD3)2CO), also known as acetone-d6, is a form (called an isotopologue) of acetone (CH3)2CO in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated acetone is a common solvent used in NMR spectroscopy.
Deuterated benzene (C6D6) is an isotopologue of benzene (C6H6) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D").
Deuterated dimethylformamide ((CD3)2NCOD), also known as deuterated DMF, is an isotopologue of DMF ((CH3)2NCOH) in which the hydrogen atom ("H") is replaced with a deuterium isotope ("D"). Deuterated DMF is a relatively uncommon solvent used in NMR spectroscopy.
Deuterated ethanol (C2D5OD) is a form (called an isotopologue) of ethanol (C2H5OH) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated ethanol is an uncommon solvent used in NMR spectroscopy.
Deuterated methanol (CD3OD), is a form (called an isotopologue) of methanol (CH3OH) in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated methanol is a common solvent used in NMR spectroscopy.
Deuterated tetrahydrofuran (d8-THF) is a colourless, organic liquid at standard temperature and pressure. This heterocyclic compound has the chemical formula C4D8O, and is an isotopologue of tetrahydrofuran. Deuterated THF is used as a solvent in NMR spectroscopy, though its expense can often be prohibitive.
Deuterated DMSO, also known as dimethyl sulfoxide-d6, is an isotopologue of dimethyl sulfoxide (DMSO, (CH3)2S=O)) with chemical formula ((CD3)2S=O) in which the hydrogen atoms ("H") are replaced with their isotope deuterium ("D"). Deuterated DMSO is a common solvent used in NMR spectroscopy.
Fluorine-19 nuclear magnetic resonance spectroscopy is an analytical technique used to detect and identify fluorine-containing compounds. 19F is an important nucleus for NMR spectroscopy because of its receptivity and large chemical shift dispersion, which is greater than that for proton nuclear magnetic resonance spectroscopy.
Deuterated dichloromethane (CD2Cl2) is a form (called an isotopologue) of dichloromethane (DCM, CH2Cl2) in which the hydrogen atoms ("H") are replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated DCM is not a common solvent used in NMR spectroscopy as it is expensive compared to deuterated chloroform.
Nucleic acid NMR is the use of nuclear magnetic resonance spectroscopy to obtain information about the structure and dynamics of nucleic acid molecules, such as DNA or RNA. It is useful for molecules of up to 100 nucleotides, and as of 2003, nearly half of all known RNA structures had been determined by NMR spectroscopy.
A Benchtop nuclear magnetic resonance spectrometer refers to a Fourier transform nuclear magnetic resonance (FT-NMR) spectrometer that is significantly more compact and portable than the conventional equivalents, such that it is portable and can reside on a laboratory benchtop. This convenience comes from using permanent magnets, which have a lower magnetic field and decreased sensitivity compared to the much larger and more expensive cryogen cooled superconducting NMR magnets. Instead of requiring dedicated infrastructure, rooms and extensive installations these benchtop instruments can be placed directly on the bench in a lab and moved as necessary. These spectrometers offer improved workflow, even for novice users, as they are simpler and easy to use. They differ from relaxometers in that they can be used to measure high resolution NMR spectra and are not limited to the determination of relaxation or diffusion parameters.
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