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Quantum Mechanics Of Nuclear Magnetic Resonance (NMR) Spectroscopy
Nuclear magnetic resonance (NMR) spectroscopy uses the intrinsic magnetic moment that arises from the spin angular momentum of a spin-active nucleus. If the element of interest has a nuclear spin that is not 0, the nucleus may exist in different spin angular momentum states, where the energy of these states can be affected by an external magnetic field. For a spin, l = nucleus two energy levels may be considered: spin up and spin down, depending on how the spin aligns with the external magnetic field. It is important to remember that, in the presence of an external magnetic field, individual nuclei may have random orientations other than up and down. However, the sample's bulk magnetization, that is, the sum of the total magnetic moments will determine the strength of the NMR signal. In addition, the energy of the applied radio frequency used in NMR must be consistent with the energy difference between the spin states. Hamiltonian (Ĥ) The Hamiltonian operator / function repre ... [...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 Spectroscopy, spectroscopic technique based on re-orientation of Atomic nucleus, atomic nuclei with non-zero nuclear spins in an external magnetic field. This re-orientation occurs with absorption of electromagnetic radiation in the radio frequency region from roughly 4 to 900 MHz, which depends on the Isotope, isotopic nature of the nucleus and increases proportionally to the strength of the external magnetic field. Notably, the resonance frequency of each NMR-active nucleus depends on its chemical environment. As a result, NMR spectra provide information about individual functional groups present in the sample, as well as about connections between nearby nuclei in the same molecule. As the NMR spectra are unique or highly characteristic to individual compounds and functional groups, NMR spectroscopy is one of the most important methods to identify ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Magnetic Moment
In electromagnetism, the magnetic moment or magnetic dipole moment is the combination of strength and orientation of a magnet or other object or system that exerts a magnetic field. The magnetic dipole moment of an object determines the magnitude of torque the object experiences in a given magnetic field. When the same magnetic field is applied, objects with larger magnetic moments experience larger torques. The strength (and direction) of this torque depends not only on the magnitude of the magnetic moment but also on its orientation relative to the direction of the magnetic field. Its direction points from the south pole to the north pole of the magnet (i.e., inside the magnet). The magnetic moment also expresses the magnetic force effect of a magnet. The magnetic field of a magnetic dipole is proportional to its magnetic dipole moment. The dipole component of an object's magnetic field is symmetric about the direction of its magnetic dipole moment, and decreases as the inverse ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hamiltonian (quantum Mechanics)
In quantum mechanics, the Hamiltonian of a system is an operator corresponding to the total energy of that system, including both kinetic energy and potential energy. Its spectrum, the system's ''energy spectrum'' or its set of ''energy eigenvalues'', is the set of possible outcomes obtainable from a measurement of the system's total energy. Due to its close relation to the energy spectrum and time-evolution of a system, it is of fundamental importance in most formulations of quantum theory. The Hamiltonian is named after William Rowan Hamilton, who developed a revolutionary reformulation of Newtonian mechanics, known as Hamiltonian mechanics, which was historically important to the development of quantum physics. Similar to vector notation, it is typically denoted by \hat, where the hat indicates that it is an operator. It can also be written as H or \check. Introduction The Hamiltonian of a system represents the total energy of the system; that is, the sum of the kine ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Kinetic Energy
In physics, the kinetic energy of an object is the form of energy that it possesses due to its motion. In classical mechanics, the kinetic energy of a non-rotating object of mass ''m'' traveling at a speed ''v'' is \fracmv^2.Resnick, Robert and Halliday, David (1960) ''Physics'', Section 7-5, Wiley International Edition The kinetic energy of an object is equal to the work, or force ( F) in the direction of motion times its displacement ( s), needed to accelerate the object from rest to its given speed. The same amount of work is done by the object when decelerating from its current speed to a state of rest. The SI unit of energy is the joule, while the English unit of energy is the foot-pound. In relativistic mechanics, \fracmv^2 is a good approximation of kinetic energy only when ''v'' is much less than the speed of light. History and etymology The adjective ''kinetic'' has its roots in the Greek word κίνησις ''kinesis'', meaning "motion". The dichoto ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gyromagnetic Ratio
In physics, the gyromagnetic ratio (also sometimes known as the magnetogyric ratio in other disciplines) of a particle or system is the ratio of its magnetic moment to its angular momentum, and it is often denoted by the symbol , gamma. Its SI unit is the reciprocal second per tesla (s−1⋅T−1) or, equivalently, the coulomb per kilogram (C⋅kg−1). The -factor of a particle is a related dimensionless value of the system, derived as the ratio of its gyromagnetic ratio to that which would be classically expected from a rigid body of which the mass and charge are distributed identically, and for which total mass and charge are the same as that of the system. For a classical rotating body Consider a nonconductive charged body rotating about an axis of symmetry. According to the laws of classical physics, it has both a magnetic dipole moment due to the movement of charge and an angular momentum due to the movement of mass arising from its rotation. It can be shown that as ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Eigenvalues And Eigenvectors
In linear algebra, an eigenvector ( ) or characteristic vector is a vector that has its direction unchanged (or reversed) by a given linear transformation. More precisely, an eigenvector \mathbf v of a linear transformation T is scaled by a constant factor \lambda when the linear transformation is applied to it: T\mathbf v=\lambda \mathbf v. The corresponding eigenvalue, characteristic value, or characteristic root is the multiplying factor \lambda (possibly a negative or complex number). Geometrically, vectors are multi-dimensional quantities with magnitude and direction, often pictured as arrows. A linear transformation rotates, stretches, or shears the vectors upon which it acts. A linear transformation's eigenvectors are those vectors that are only stretched or shrunk, with neither rotation nor shear. The corresponding eigenvalue is the factor by which an eigenvector is stretched or shrunk. If the eigenvalue is negative, the eigenvector's direction is reversed. Th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Momentum Operator
In quantum mechanics, the momentum operator is the operator associated with the linear momentum. The momentum operator is, in the position representation, an example of a differential operator. For the case of one particle in one spatial dimension, the definition is: \hat = - i \hbar \frac where is the reduced Planck constant, the imaginary unit, is the spatial coordinate, and a partial derivative (denoted by \partial/\partial x) is used instead of a total derivative () since the wave function is also a function of time. The "hat" indicates an operator. The "application" of the operator on a differentiable wave function is as follows: \hat\psi = - i \hbar \frac In a basis of Hilbert space consisting of momentum eigenstates expressed in the momentum representation, the action of the operator is simply multiplication by , i.e. it is a multiplication operator, just as the position operator is a multiplication operator in the position representation. Note that the definition ab ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Eigenfunction
In mathematics, an eigenfunction of a linear operator ''D'' defined on some function space is any non-zero function f in that space that, when acted upon by ''D'', is only multiplied by some scaling factor called an eigenvalue. As an equation, this condition can be written as Df = \lambda f for some scalar eigenvalue \lambda. The solutions to this equation may also be subject to boundary conditions that limit the allowable eigenvalues and eigenfunctions. An eigenfunction is a type of eigenvector. Eigenfunctions In general, an eigenvector of a linear operator ''D'' defined on some vector space is a nonzero vector in the domain of ''D'' that, when ''D'' acts upon it, is simply scaled by some scalar value called an eigenvalue. In the special case where ''D'' is defined on a function space, the eigenvectors are referred to as eigenfunctions. That is, a function ''f'' is an eigenfunction of ''D'' if it satisfies the equation where λ is a scalar. The solutions to Equation may also ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wave Function
In quantum physics, a wave function (or wavefunction) is a mathematical description of the quantum state of an isolated quantum system. The most common symbols for a wave function are the Greek letters and (lower-case and capital psi (letter), psi, respectively). Wave functions are complex number, complex-valued. For example, a wave function might assign a complex number to each point in a region of space. The Born rule provides the means to turn these complex probability amplitudes into actual probabilities. In one common form, it says that the squared modulus of a wave function that depends upon position is the probability density function, probability density of measurement in quantum mechanics, measuring a particle as being at a given place. The integral of a wavefunction's squared modulus over all the system's degrees of freedom must be equal to 1, a condition called ''normalization''. Since the wave function is complex-valued, only its relative phase and relative magnitud ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Selection Rule
In physics and chemistry, a selection rule, or transition rule, formally constrains the possible transitions of a system from one quantum state to another. Selection rules have been derived for electromagnetic transitions in molecules, in atoms, in atomic nucleus, atomic nuclei, and so on. The selection rules may differ according to the technique used to observe the transition. The selection rule also plays a role in chemical reactions, where some are formally spin-forbidden reactions, that is, reactions where the spin state changes at least once from Reagent, reactants to Product (chemistry), products. In the following, mainly atomic and molecular transitions are considered. Overview In quantum mechanics the basis for a spectroscopic selection rule is the value of the ''transition moment integral'' :m_ = \int \psi_1^* \, \mu \, \psi_2 \, \mathrm\tau, where \psi_1 and \psi_2 are the wave functions of the two states, "state 1" and "state 2", involved in the transition, a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
NMR Transitions
Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near field) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic field at the nucleus. This process occurs near resonance, when the oscillation frequency matches the intrinsic frequency of the nuclei, which depends on the strength of the static magnetic field, the chemical environment, and the magnetic properties of the isotope involved; in practical applications with static magnetic fields up to ca. 20 tesla, the frequency is similar to VHF and UHF television broadcasts (60–1000 MHz). NMR results from specific magnetic properties of certain atomic nuclei. High-resolution nuclear magnetic resonance spectroscopy is widely used to determine the structure of organic molecules in solution and study molecular physics and crystals as well as non-crystallin ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
