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  2. Karplus equation - Wikipedia

    en.wikipedia.org/wiki/Karplus_equation

    where J is the 3 J coupling constant, is the dihedral angle, and A, B, and C are empirically derived parameters whose values depend on the atoms and substituents involved. [3] The relationship may be expressed in a variety of equivalent ways e.g. involving cos 2φ rather than cos 2 φ —these lead to different numerical values of A , B , and C ...

  3. Coupling constant - Wikipedia

    en.wikipedia.org/wiki/Coupling_constant

    The coupling constant determines the magnitude of the part with respect to the part (or between two sectors of the interaction part if several fields that couple differently are present). For example, the electric charge of a particle is a coupling constant that characterizes an interaction with two charge-carrying fields and one photon field ...

  4. J-coupling - Wikipedia

    en.wikipedia.org/wiki/J-coupling

    Example 1 H NMR spectrum (1-dimensional) of ethanol plotted as signal intensity vs. chemical shift.There are three different types of H atoms in ethanol regarding NMR. The hydrogen (H) on the −OH group is not coupling with the other H atoms and appears as a singlet, but the CH 3 − and the −CH 2 − hydrogens are coupling with each other, resulting in a triplet and quartet respectively.

  5. Two-dimensional nuclear magnetic resonance spectroscopy

    en.wikipedia.org/wiki/Two-dimensional_nuclear...

    The advantage of a COSY-45 is that the diagonal-peaks are less pronounced, making it simpler to match cross-peaks near the diagonal in a large molecule. Additionally, the relative signs of the coupling constants (see J-coupling#Magnitude of J-coupling) can be elucidated from a COSY-45 spectrum.

  6. Quantum mechanics of nuclear magnetic resonance (NMR ...

    en.wikipedia.org/wiki/Quantum_mechanics_of...

    Nuclear magnetic resonance (NMR) spectroscopy uses the intrinsic magnetic moment that arises from the spin angular momentum of a spin-active nucleus. [1] If the element of interest has a nuclear spin that is not 0, [1] the nucleus may exist in different spin angular momentum states, where the energy of these states can be affected by an external magnetic field.

  7. Agostic interaction - Wikipedia

    en.wikipedia.org/wiki/Agostic_interaction

    The presence of a 1 H NMR signal that is shifted upfield from that of a normal aryl or alkane, often to the region normally assigned to hydride ligands. The coupling constant 1 J CH is typically lowered to 70–100 Hz versus the 125 Hz expected for a normal sp 3 carbon–hydrogen bond.

  8. Proton nuclear magnetic resonance - Wikipedia

    en.wikipedia.org/wiki/Proton_nuclear_magnetic...

    Coupling constants for these protons are often as large as 200 Hz, for example, in diethylphosphine, where the 1J P−H coupling constant is 190 Hz. [6] These coupling constants are so large that they may span distances in excess of 1 ppm (depending on the spectrometer), making them prone to overlapping with other proton signals in the molecule.

  9. Fermi contact interaction - Wikipedia

    en.wikipedia.org/wiki/Fermi_contact_interaction

    The interaction was first derived by Enrico Fermi in 1930. [7] A classical derivation of this term is contained in "Classical Electrodynamics" by J. D. Jackson. [8] In short, the classical energy may be written in terms of the energy of one magnetic dipole moment in the magnetic field B(r) of another dipole.