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Chapter 8

Interpreting Nuclear Magnetic Resonance Spectra

Chemische Verschiebung: Interne Referenzen und Lösungsmitteleffekte
Chemische Verschiebung: Interne Referenzen und Lösungsmitteleffekte
Precise measurement of the absolute absorption frequencies of nuclei in a sample is difficult. To overcome this, a standard internal reference compound is ...
NMR-Spektroskopie: Überblick über die chemische Verschiebung
NMR-Spektroskopie: Überblick über die chemische Verschiebung
The position of the absorption signal of a sample is reported relative to the position of the signal of tetramethylsilane (TMS), which is added as an ...
Proton (¹H) NMR: Chemische Verschiebung
Proton (¹H) NMR: Chemische Verschiebung
Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. ...
Induktive Effekte auf die chemische Verschiebung: Überblick
Induktive Effekte auf die chemische Verschiebung: Überblick
The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at ...
π Elektroneneffekte auf die chemische Verschiebung: Überblick
π Elektroneneffekte auf die chemische Verschiebung: Überblick
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a ...
π Elektroneneffekte auf die chemische Verschiebung: Aromatische und antiaromatische Verbindungen
π Elektroneneffekte auf die chemische Verschiebung: Aromatische und antiaromatische Verbindungen
In aromatic compounds, such as benzene, the circulation of (4n + 2) π-electrons sets up a diamagnetic or diatropic ring current around the perimeter ...
¹H Chemische Verschiebungsäquivalenz der NMR: Homotope und heterotope Protonen
¹H Chemische Verschiebungsäquivalenz der NMR: Homotope und heterotope Protonen
Protons in identical electronic environments within a molecule are chemically equivalent and have the same chemical shift. The replacement test is a ...
¹H Chemische Verschiebungsäquivalenz der NMR: Enantiotope und diastereotope Protonen
¹H Chemische Verschiebungsäquivalenz der NMR: Enantiotope und diastereotope Protonen
Replacing each alpha-hydrogen in chloroethane by bromine (or a different functional group) yields a pair of enantiomers. Such protons are called prochiral ...
¹H NMR-Signalintegration: Übersicht
¹H NMR-Signalintegration: Übersicht
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area ...
NMR-Spektroskopie: Spin-Spin-Kopplung
NMR-Spektroskopie: Spin-Spin-Kopplung
The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening ...
¹H NMR-Signalvielfalt: Aufspaltung von Mustern
¹H NMR-Signalvielfalt: Aufspaltung von Mustern
When protons A and X are coupled, their nuclear spin energy levels are slightly modified. This is because the energy required to excite proton A to a spin ...
Interpretation der ¹H-NMR-Signalaufteilung: Die (<em>n</em> + 1)-Regel
Interpretation der ¹H-NMR-Signalaufteilung: Die (n + 1)-Regel
In the AX proton spin system, proton A can sense the two spin states of a coupled proton X, resulting in a doublet NMR signal with two peaks of equal ...
Spin-Spin-Kopplungskonstante: Überblick
Spin-Spin-Kopplungskonstante: Überblick
In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal ...
Spin-Spin-Kopplung: Ein-Bindungs-Kopplung
Spin-Spin-Kopplung: Ein-Bindungs-Kopplung
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of ...
Spin-Spin-Kopplung: Zwei-Bindungs-Kopplung (Geminal-Kopplung)
Spin-Spin-Kopplung: Zwei-Bindungs-Kopplung (Geminal-Kopplung)
Two NMR-active nuclei bonded to a central atom can be involved in geminal or two-bond coupling. Geminal coupling is commonly seen between diastereotopic ...
Spin-Spin-Kopplung: Drei-Bindungs-Kopplung (vicinale Kopplung)
Spin-Spin-Kopplung: Drei-Bindungs-Kopplung (vicinale Kopplung)
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred ...
¹H NMR: Kopplung mit großer Reichweite
¹H NMR: Kopplung mit großer Reichweite
The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in ...
¹H NMR: Komplexe Aufspaltung
¹H NMR: Komplexe Aufspaltung
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one ...
¹H NMR: Pople-Notation
¹H NMR: Pople-Notation
The Pople nomenclature system classifies spin systems based on the difference between their chemical shifts. Coupled spins are denoted by capital letters ...
¹H NMR: Interpretation verzerrter und überlappender Signale
¹H NMR: Interpretation verzerrter und überlappender Signale
Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei ...
Kohlenstoff-13 (¹³C) NMR: Übersicht
Kohlenstoff-13 (¹³C) NMR: Übersicht
Carbon-13 is a naturally occurring NMR-active isotope of carbon with a low natural abundance of 1.1%. In contrast, carbon-12 is the most abundant isotope ...
¹³C NMR: ¹H–¹³C Entkopplung
¹³C NMR: ¹H–¹³C Entkopplung
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak ...
¹³C NMR: Verzerrungsfreie Verstärkung durch Polarisationstransfer (DEPT)
¹³C NMR: Verzerrungsfreie Verstärkung durch Polarisationstransfer (DEPT)
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. ...
Andere Nuklide: <sup>31</sup>P, <sup>19</sup>F, <sup>15</sup>N NMR
Andere Nuklide: 31P, 19F, 15N NMR
The NMR spectroscopy of spin-half nuclei such as nitrogen-15, fluorine-19, and phosphorus-31 has wide-ranging applications in chemistry and biology. ...
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