Spin is a type of angular momentum which is intrinsic to atomic and sub-atomic particles. Electrons in orbitals can be either spin paired or spin unpaired which influences the magnetic properties of the species containing these orbitals.

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Proof of Exponential Decay Pattern of Time Correlation Functions for $\mathrm{B_{loc}(t)}$ in NMR Spectroscopy

For a given protein, I know that the NMR Spectroscopy magnet generates a field $\mathrm{B_o}$ and that the interactions with the spins in the local environment generates a much smaller field $\mathrm{...
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Transition from ground state to excited state

I don't understand how to correctly find the term symbol of an excited state. I know that the first two permitted transitions for the Ne atom are 16.8eV and 19.8eV and I want to find the electronic ...
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Is the reasoning of spin contamination correct?

The common explanation of spin contamination is like the following: The non-relativistic electronic Hamiltonian commutes with $S^2$ and $S_z$. Hence, the exact eigenfunction should be an ...
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Why only one peak is observed in NMR spectrum of H2?

Assuming a downward magnetic field is applied and the nuclear spin of two equivalent protons in $\ce{H2}$ are all in ground state $\downarrow\downarrow$ initially. Would the required energy of one of ...
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How to convert from spin orbitals to spatial orbitals in the Hartree-Fock approximation?

I need to calculate some of the more complicated self-energy terms from chapter 7 of Szabo and Ostlund's "Modern Quantum Chemistry", and I'm having trouble converting summations from spin orbitals to ...
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What accounts for the high spin state of the complex Tris(acetylacetonato)iron(III)?

I understand that there's 5 d-electrons for $\ce{Fe^3+}$ ion, but why it doesn't fill up the lower energy orbitals first to form one unpaired electron, but rather, filling up all the orbitals to form ...
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Filling up of electrons [duplicate]

Is it necessary that filling up orbitals start from spin-up orientation only? And also, is it mandatory to fill the electrons with one kind of spin or they can be filled with spin up and spin down(as ...
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Change in spin angular momentum during transition in one-electron atoms

I have a really basic qustion about spin and electronic transitions. In one-electron systems (like H or $\ce{He+}$), will the electron change its spin during an electronic transition? Let's say the ...
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Determining spin of metal complex

Is there any way to determine the spin of $\ce{[Fe(OH)6]^{4-}}$ without looking at the spectrochemical series?
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[BrF6]- and its 19F NMR

$\ce{[BrF6]-}$ is an octahedral molecule. I think it would have only one fluorine environment due to the rotational symmetry. $\ce{Br}$ has nuclear spin $I=3/2$ and therefore is unlikely to cause ...
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Is one electron spin preferred over the other in filling of orbitals? [duplicate]

When filling an orbital diagram of an atom, usually the up-spin is filled first and then the down-spin. For example, for Nitrogen, we have : But in a model in which up-spin electron is preferred ...
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Spin spin coupling in a proton NMR of an ester?

I am learning about proton NMR and spin-spin coupling, and am confused about whether splitting occurs over an ester bond. Specifically, in the case of ethyl methanoate, HCOOCH2CH3, if I were to number ...
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Cu2+ octahedral complexes

$\ce{Cu}^{2+}$ has nine d-electrons, regardless of the ligand field strength it will have one free electron (so it is paramagnetic. Are $\ce{Cu}^{2+}$ octahedral complexes high spin or low spin?
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Nuclear spin multiplicity of radicals

How do you calculate the nuclear spin multiplicity of radicals such as $\ce{N2H+}$? How does the net charge on the molecular species effect its overall nuclear spin?
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How to derive the nuclear spin of 23Na?

Is it possible to derive the nuclear spin I=3/2 for $\ce{^23Na}$ from a term scheme or from something else from spectroscopy? I was asked this question in an old exam and didn't know how to do it. I ...
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Do electrons only fill 'spin up' first? Or could it start filling 'down spins' first?

Due to Hund's rule, electrons start filling up the orbitals without pairing up. When this is happening, do the electrons all fill up the 'up' spin? Could they fill in the 'down' spin? Why do they ...
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Co(H₂O)₆ , a low spin coordination complex,why?

Despite $\ce{H2O}$ being a weak field ligand, why is $\ce{[Co(H2O)6]^3+}$ a low spin complex?
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Total magnetic moment of atom

Whenever I read about coordination compounds in my textbooks, I always find a discussion about spin-only magnetic moment which is given by $\sqrt{n(n+2)}$ BM, Where $n$ is the number of unpaired ...
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Hund's rule & different H₂ molecules

Does Hund's rule allow both of the following scenarios? Filling each orbital with a single electron, so that a sub-shell, at first, only electrons with a negative spin Filling each orbital with a ...
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What is antisymmetric exchange? What is J-strain? Where does it come from?

I'm reading a paper1 by Sanakis, et al. that characterises the magnetic coupling in the $\ce{Fe3S4}$ clusters present in bacterial ferredoxin II and beef heart aconitase as arising through something ...
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Is the order of orientation of electron box diagrams meaningful or arbitrary?

Here is my interpretation when asked to: By drawing arrows in the appropriate boxes, complete the outer electron structures for Cu and Cu2+ I had no problem in drawing out the electron ...
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Are there any examples of nuclear spin isomers having consequences for chemical reactivity?

Ortho- and parahydrogen are two forms of the $\ce{H2}$ molecule that are distinguished by their pairing or antipairing of nuclear spins, giving rise to metastable singlet (ortho-) and triplet (para-) ...