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Chapter 8

Interpreting Nuclear Magnetic Resonance Spectra

Mudança Química: Referências Internas e Efeitos de Solvente
Mudança Química: Referências Internas e Efeitos de Solvente
Precise measurement of the absolute absorption frequencies of nuclei in a sample is difficult. To overcome this, a standard internal reference compound is ...
Espectroscopia de RMN: Visão geral do deslocamento químico
Espectroscopia de RMN: Visão geral do deslocamento químico
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 ...
RMN de prótons (¹H): deslocamento químico
RMN de prótons (¹H): deslocamento químico
Organic molecules primarily contain carbon and hydrogen atoms. While all the hydrogen isotopes are NMR-active, protium or hydrogen-1 is the most abundant. ...
Efeitos indutivos no deslocamento químico: visão geral
Efeitos indutivos no deslocamento químico: visão geral
The protons in unsubstituted alkanes are strongly shielded with chemical shifts below 1.8 ppm. Methine, methylene, and methyl protons appear at ...
π Efeitos do elétron no deslocamento químico: visão geral
π Efeitos do elétron no deslocamento químico: visão geral
An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a ...
π Efeitos de elétrons na mudança química: compostos aromáticos e antiaromáticos
π Efeitos de elétrons na mudança química: compostos aromáticos e antiaromáticos
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 NMR Equivalência de Deslocamento Químico: Prótons Homotópicos e Heterotópicos
¹H NMR Equivalência de Deslocamento Químico: Prótons Homotópicos e Heterotópicos
Protons in identical electronic environments within a molecule are chemically equivalent and have the same chemical shift. The replacement test is a ...
¹H NMR Equivalência de Deslocamento Químico: Prótons Enantiotópicos e Diastereotópicos
¹H NMR Equivalência de Deslocamento Químico: Prótons Enantiotópicos e Diastereotópicos
Replacing each alpha-hydrogen in chloroethane by bromine (or a different functional group) yields a pair of enantiomers. Such protons are called prochiral ...
¹H Integração de sinal NMR: Visão geral
¹H Integração de sinal NMR: Visão geral
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 ...
Espectroscopia de RMN: Acoplamento Spin-Spin
Espectroscopia de RMN: Acoplamento Spin-Spin
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 Multiplicidade de sinal NMR: Padrões de divisão
¹H Multiplicidade de sinal NMR: Padrões de divisão
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 ...
Interpretando a divisão do sinal de RMN ¹H: a regra (<em>n</em> + 1)
Interpretando a divisão do sinal de RMN ¹H: a regra (n + 1)
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 ...
Constante de acoplamento spin-spin: Visão geral
Constante de acoplamento spin-spin: Visão geral
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 ...
Acoplamento Spin-Spin: Acoplamento de uma ligação
Acoplamento Spin-Spin: Acoplamento de uma ligação
Coupling interactions are strongest between NMR-active nuclei bonded to each other, where spin information can be transmitted directly through the pair of ...
Acoplamento Spin-Spin: Acoplamento de Duas Ligações (Acoplamento Geminal)
Acoplamento Spin-Spin: Acoplamento de Duas Ligações (Acoplamento Geminal)
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 ...
Acoplamento Spin-Spin: Acoplamento de Três Ligações (Acoplamento Vicinal)
Acoplamento Spin-Spin: Acoplamento de Três Ligações (Acoplamento Vicinal)
Vicinal or three-bond coupling is commonly observed between protons attached to adjacent carbons. Here, nuclear spin information is primarily transferred ...
¹H NMR: Acoplamento de longo alcance
¹H NMR: Acoplamento de longo alcance
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 RMN: Divisão Complexa
¹H RMN: Divisão Complexa
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: Notação Pople
¹H NMR: Notação Pople
The Pople nomenclature system classifies spin systems based on the difference between their chemical shifts. Coupled spins are denoted by capital letters ...
¹H NMR: Interpretando sinais distorcidos e sobrepostos
¹H NMR: Interpretando sinais distorcidos e sobrepostos
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 ...
RMN de carbono-13 (¹³C): Visão geral
RMN de carbono-13 (¹³C): Visão geral
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 Desacoplamento
¹³C NMR: ¹H–¹³C Desacoplamento
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: Aprimoramento sem distorção por transferência de polarização (DEPT)
¹³C NMR: Aprimoramento sem distorção por transferência de polarização (DEPT)
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. ...
Outros nuclídeos: <sup>31</sup>P, <sup>19</sup>F, <sup>15</sup>N RMN
Outros nuclídeos: 31P, 19F, 15N RMN
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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