All Questions
Tagged with quantum-chemistry inorganic-chemistry
56
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68
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Do Electron-Withdrawing-Groups give an hypsochromic shift or a bathochromic one? and why?
I'm not familiar with this topic,but i know that bathochromic shifts occur when the energy gap between energy levels of the substituted molecule, are lower than the unsubstituted one;viceversa ...
- 19
-1
votes
1
answer
80
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Degeneracy of Orbitals
(Sorry, in advance if my question is silly or low quality but I want to ask this to someone.)
When an electron enters an orbital, it should technically have an electric Field and also magnetic field(...
- 107
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38
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What are some general chemistry textbook with good problems? [duplicate]
I’m currently in a General Chemistry course and am wondering if you guys can recommend me a textbook or resource where I can find good problems to work through and further my understanding. We’re ...
- 11
8
votes
2
answers
612
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Mulliken Labels: How do I tell apart E, doubly degenerate, symmetry apart from T, triply degenerate, symmetry for a molecular orbital?
With A and B, it's pretty simple. If you rotate the molecule about its principle axis to where the orbitals line up, and the signs change, it's Mulliken label has a B. otherwise, it's A.
I heard E ...
- 109
2
votes
1
answer
227
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Band structure of solids in general
As my last question (Semiconductors and their electronic bands) was badly structured, I decided to elaborate my questions a bit.
As I now know, every solid/liquid forms a band structure, so all ...
- 383
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0
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47
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Reduction of direct product representation
When we do the reduction of the reducible representation generated from the total wavefunction expressed as product of MOs of appropriate symmetry, we can find the direct sum of more than one ...
- 101
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0
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54
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Group theory and exact Eigenfunctions of Hamiltonian
I think I've understand why the real Eigenfunctions of Hamiltonian belong to a given irreducible representation and I've read that also MOs have to transform as irreducible representation due to the ...
- 101
2
votes
2
answers
538
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What does the 2 in t2g stand for?
I have read so far that it is about whether the d-Orbital is symmetric to a C2 element perpendicular to its main rotational axis. If all the given orbitals in a group are symmetric to that element, ...
- 83
2
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42
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Commutating operators of angular momenta
I've studied the formal procedure to pass from the uncoupled basis set of individual angular momenta to the coupled basis set of total angular momenta for polyelectronic atoms.
I start from an ...
- 101
0
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0
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22
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Some advice on inorganic textbook [duplicate]
I'd like to have some advice on Inorganic textbooks.
I've already consulted some books (Kettle, Drago, Keiter, Cotton) and they are all very useful, but now I'm searching for a textbook which focuses ...
- 101
-2
votes
1
answer
98
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Doubt on vibronic transitions
When we justify the presence of electronic transitions forbidden by Laporte selection rule, the coupling between electronic and vibrational states help us. Why we say that in this way we are ...
- 101
4
votes
1
answer
279
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Principal quantum number and 'good' quantum numbers
When we discuss about configurations we specify n, l, m quantum numbers for the individual electrons.
My question is: why when we pass from configurations to atomic terms in order to use the total ...
- 101
-1
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1
answer
69
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Refrence on shielding effect vs inter electronic repulsion
Recently I came across a very interesting concept , some scholars were saying that -
Shielding accounts just one component (radial) of interelectronic repulsion not complete repulsion
Who they are -
...
-4
votes
2
answers
313
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electron - electron repulsion and shielding effect [closed]
What is difference between shielding and electron electron repulsion. When I read this article , I came to know that both are different. First Read this paragraph and see the graph of ionization ...
-1
votes
1
answer
309
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Ionization and exchange energy [closed]
As we all know that 'Nitrogen' has higher 'Ionization Energy' than its neighboring elements both carbon and oxygen, opposite to the trend of increasing ionization energy across a period. The reason ...