Questions tagged [orbitals]
An orbital is a one-electron wavefunction, usually derived by solving the Schrodinger equation. This tag applies to questions about all forms of orbitals; additionally, questions about the construction and properties of molecular orbitals should be tagged with [molecular-orbital-theory].
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Free Web-Based Orbital Solver to look into the Walsh orbitals of a perturbed cyclopropane
There exists a free online orbital calculator.
When I draw cyclopropane it plots three molecular orbitals, but unfortunately it doesn't use the Walsh orbitals.
Are there any free online tools which ...
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Where exactly do the orbital angular momentum get their numbers e.g. +1/2
I was thinking about orbital angular momentum today and wondering how exactly do the numbers come about that quantize them. I was doing a little research on how they come about and I came across ...
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Through bond interaction in biradical dioxo compound and its correlation diagram
I'd like to investigate into the ring opening, the migratory reverse reaction of the electrocyclic ring-closure of Dimethyldioxirane:
As a first question I'd like to ask if I have drawn the through ...
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Are the p orbitals of the biradical dioxo compound in the HOMO perpendicular to the plane?
I tried to draw the frontier molecular orbitals of the following biradical structure:
(A) At the top I've drawn the HOMO and LUMO, because I know that the reaction coordinate belongs to the $\ce{C_{$...
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Quantum mechanical model of atom and the quantum numbers
I studied Bohr's model of atom and then the drawbacks of it and then quantum mechanical model of atom. Now quantum model is according to uncertainty principal and dual nature of matter and it says we ...
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Why allene cannot be described with an allyl system?
Why is it impossible in allene to have two pi-bonds in the same orientation?
=> Why isn't allene planar? (4 $p$ electrons are in two 2x2 $p$-orbitals)
From my chemical intuition I would guess that ...
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Why does hybridization produce a more stable configuration?
My text, and the other sources I've checked, include information on the effects, and kinds, of hybridized orbitals; however, they do not explain what properties of hybridized bonds conduce greater ...
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Photoisomerization of Azobenzene
Rotation around the double bond of azobenzene is restricted because it would distort the P orbital overlap between the nitrogen atoms. However, in the $n \rightarrow \pi^*$ excited state ($S_1$), the ...
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Stability of half and fully filled orbitals [duplicate]
1) My textbook tells me that chromium's electronic configuration is $\ce{[Ar]}\space 3d^5 4s^1$ instead of $\ce{[Ar]} \space 3d^4 4s^2$, as fully filled and half filled orbitals have more stability. ...
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What comes after f-orbitals, and in what order are they filled?
I know about s, p, d, and f-orbitals. However, my physical chemistry textbook does not mention what comes after f-orbitals. What are the next letters, and in what order are these higher orbitals ...
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How many electrons are in the d orbitals of NiCl2·6H2O?
On Wikipedia, it says that
$\ce{NiCl2·6H2O}$ consists of separated trans-$\ce{[NiCl2(H2O)4]}$ molecules
linked more weakly to adjacent water molecules. Only four of the six
water molecules in ...
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Bromine with 10 electrons
On a test question, my organic chemistry professor gave us a really big molecule and told us to give list the formal charges on each atom. There was a $\ce{Br}$ with 3 lone pairs and a double bond to ...
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Is p-bromophenol more acidic than p-chlorophenol?
p-chlorophenol is more acidic than p-fluorophenol due to presence of vacant d orbitals. But then is p-bromophenol more acidic than p-chlorophenol since it has vacant f orbitals also? But I guess that’...
user14857
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Trouble understanding 5 orientations of d orbitals
I understand $d_{xy}$ and $d_{yz}$ and those orientations but ones like $d_{z^2}$ are very strange to me.
Can someone please explain that to me?
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Orbitals involved in Ni(CO)₄
Which orbitals are filled? Is it diamagnetic? According to CFT, $\ce{CO}$ is a strong field ligand, so will it pair the electrons and be diamagnetic?
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Difference between radial, planar, angular and spherical nodes
What is the difference between them?
I think radial nodes and spherical nodes are the same, and angular and planar nodes are the same.
Reference
Finally, how many spherical nodes are there in ...
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Do core electrons have molecular orbitals?
Valence electrons are associated with molecular orbitals and hybridizations. Do core electrons have molecular/hybridized orbitals, or the original atomic orbitals?
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Order of priority in hybridization of d-orbitals
During hybridization of d-orbitals why the $d_{z^2}$ and $d_{x^2-y^2}$ orbitals are used up before the $d_{xy}$, $d_{yz}$ and $d_{zx}$ ?
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Are the energies of orbitals that are not filled in an atom, equal?
In a hydrogen atom only 1s orbital is filled. Does this mean that the energies of all other orbitals are equal? If so,why?
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Difference between continuously overlapping p orbitals and conjugated pi bonds
Is there any difference between the phrase "continuously overlapping p-orbitals" and "conjugated pi bonds" when referring to aromatic compounds? I've heard both used and I wasn't sure if they mean the ...
user9974
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What would follow in the series sigma, pi and delta bonds?
I realise, that this question is a stretch, but I was wondering, how would a bonding orbital be called if it was formed from two $f_{x(x^2−3y^2)}$ or $f_{y(3x^2−y^2)}$ orbitals. Have there been any ...
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What is the hybridization of oxygen in furan?
I fail to understand why the hybridization of oxygen in furan is $\ce{sp^2}$. I think that since there are 2 bond pairs and two lone pairs so it should be $\ce{sp^3}$ hybridized?
Is it to do with the ...
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sp² hybridized orbital
I do not understand why and how an atom with $\ce{sp^2}$ hybridization has only one p orbital??
For example in pyridine why is the lone pair of nitrogen not counted as a pi electron.
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What is an orbital boundary surface?
Could anybody explain the following statement:
"The boundary surface is a common way to represent atomic orbitals, incorporating the volume in which there is about a 90 percent probability of finding ...
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Effect of effective nuclear charge increase on the stabilization of 2s and 2p orbitals
Are 2s or 2p orbitals more stabilized when going from left to right in the period? There are good arguments for both possible answers:
1) 2p orbitals are more stabilized because they penetrate less ...
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Is there a general / simple formula for Slater's rules?
I just learned how Slater's rules work on Wikipedia. These rules really are very simple. But the presentation of the rules seemed not very efficient. I would think there would be someway to set up and ...
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Do multielectron atoms have nodes?
For hydrogen, other than in the 1s state, the electron wavefunctions have radial and/or angular nodes where the electron probability density is zero.
In helium or further atoms with more than one ...
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Why do no known atoms have electrons in the g or h subshells?
I'm learning about orbital quantum numbers. While checking several elements on the periodic table I noticed that there aren't any atoms that have electrons in the g or h subshells. Why is this?
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Why do copper (II) complexes contain so many valence electrons?
Consider tetraaminecopper (II) ion. $\ce{[Cu(NH3)4]^2+}$ or $\ce{[Cu(NH3)4(H2O)2]^2+}$.
The copper(II) ion has the electron configuration $\mathrm{[Ar]\ 3d^9}$. How do the 4 electron pairs from the ...
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Which orbitals of the hydrogen atom are degenerate for n=3?
Which of the following orbitals are degenerate in the hydrogen atom with $n = 3$?
A. II and III only;
B. I and IV only;
C. I, II, and IV only;
D. II, III, and IV only;
E. all.
The ...
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