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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Why should higher energy empty orbitals be chosen over lower energy empty orbitals during hybridisation?

Organic chemistry by jonathan clayden states during his explanation of hybridisation using trigonal boron structure (sp2) and tetrahedral boron structure (sp3): You want to populate the lowest energy ...
Richard Xun's user avatar
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On the relativistic contraction of orbitals

In Platinum $\text{Pt}$, why do $\text{s}$ and $\text{p}$ orbitals contract when electrons start travelling at relativistic speeds $|v|\sim c$, while $\text{d}$ orbital expands? The way I reasoned ...
Kutasov's user avatar
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Where are the electrons located when two atomic orbitals overlap? (VBT)

According to the valence bond theory(VBT), a covalent bond is formed by the overlapping of atomic orbitals containing electrons of opposite spin which pair together. However what is the physical ...
Nothing's user avatar
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The sign of the lobes in an atomic orbital

In atomic orbital diagram of an atomic orbital, the lobes are represented as either positive or negative. It is said that the wave function is 'positive' where the lobe is depicted positive and '...
Nothing's user avatar
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Carbonyl and thiocarbonyl 13C NMR

According to this paper, the deshielding effect of C=S group is specifically due to the delta(11), which is the least shielded component. However, the conclusion tells me that this component is ...
Seiji's user avatar
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1,3-butadiene conformation difference [duplicate]

I am aware that there are 2 well-known conformations of 1,3-butadiene which is s-cis and s-trans conformation. The s-trans conformation is clearly more stable than the s-cis conformation whose ...
Seiji's user avatar
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Do d-orbital electrons shield each other or not?

"The shielding of one 4f electron by another is less than that of one d electron by another, and as the nuclear charge increases along the series, there is fairly regular decrease in the size of ...
Avish Bhatia's user avatar
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How does more s character shorten bonds and strengthen bonds?

I'm aware that having more s character means that electrons are in the lowest energy state (?) and very close to the positive atomic nucleus. But then what’s the connection between having electrons ...
Ki Ki's user avatar
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Is the energy difference between the 2s and 2p orbital smaller than the difference between 3s and 3p?

on this website (https://physics.nist.gov/PhysRefData/ASD/levels_form.html), you can look up atomic spectra. For example, if you query "Na I", you will see that the Level (cm^-1) for the ...
Theiserino's user avatar
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2 answers
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Lewis dot structure vs orbitals

I am currently teaching myself AP Chemistry, so am at a very basic level still. I am studying chemical bonds now, but am wondering why the orbitals don't make a difference to the way atoms bond. To ...
harpomiel's user avatar
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How did scientists prove that electron configuration was true if we do not know exactly where electrons are? [closed]

In Wikipedia, there is an entry for electron configurations which explains all about them, but I did not find from this article how they were discovered. If we take into account Schrodinger's quantum ...
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Why is Sulfur Trioxide has SP² hybridization? [duplicate]

When I google what is the type of hybridization in SO₃ it gives me "SP² hybridization". The problem I have is why does it has the above hybridization when it has 3 double bonds with the ...
donthababakka's user avatar
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Why does the two OH bonds in H2O have different bond disassociation enthalpies? How does the bond cleavage happen here?

I came across this question, and in the text it was written as 'change in the chemical environment'. I wasn't satisfied with this explanation, so I am looking for a more detailed answer on this matter ...
goldi mathews's user avatar
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1 answer
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How does the concept of the electron shell (also called energy level) and the orbital coexist? [closed]

Running into a bit of confusion trying to understand the atomic structure and the root cause is mostly related to orbitals and energy levels. At a basic level, I was taught that electrons orbit the ...
7777's user avatar
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Why can s and p orbitals of one atom form hybrid orbitals but the overlaping of s & p orbitals of two different atoms don't form a molecular orbital?

So my question is in the title : Why can s and p orbitals of one atom form hybrid orbitals but the overlapping of one s orbital and one p orbital (perpendicular to the bond axis) of two different ...
dispatchh's user avatar
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Do the paired electrons of subshells' degenerate orbitals contribute to the total exchange energy?

For instance, in d7, there are 5 electrons with the same spin, and 2 electron with the opposite spin, meaning that there are only 3 unpaired electrons. So, which of these would be correct? (i) Total ...
Ayushi Kaushal's user avatar
4 votes
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Nephelauxetic effect and covalency of metal-ligand bonds

As I was reading about nephelauxetic effects, which is the effect that atomic d-orbitals are bigger in a complex than in gaseous metal ions. The Racah interelectronic repulsion parameter gets smaller, ...
Mäßige's user avatar
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What kind of hybridisation is there around the central carbon atoms?

I am currently working on an assignment and I am confused about what kind of hybridisation exists for the first condensed structure CH3CN. Does the CH3 have sp2 hybridisation? I suspect its that ...
WChan's user avatar
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How do the orbitals in atoms synchronize their phases during the formation of a bond?

Suppose I have two hydrogen atoms, each with one electron in their 1s orbital. Then we can represent the wave functions of these two as say $|\Psi\rangle_1$ and $|\Psi\rangle_2$ for each of the two ...
Hadi Khan's user avatar
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Ionization Energy equal to single electron energy [closed]

The ionization energy represents the amount of energy needed to detach an electron from an atom or molecule. Is it accurate to state that this electron possesses an energy precisely equivalent to the ...
Johny Dow's user avatar
7 votes
1 answer
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Confusion about the number of microstates for orbitals

I am very confused about the microstates for a specific orbital. Let's suppose I have an electronic configuration $$ \ce{[\dots] 2p^5} $$ Considering the symmetry of the orbitals and the "...
Kubrik's user avatar
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Why are p orbitals most important for stability? [closed]

Is there nice way to see/show/derive why p orbitals are so important for stability? Or asked differently: Why are elements with filled p orbitals on the right side of the periodic table? Why aren't ...
user3700272's user avatar
-1 votes
2 answers
169 views

Why do different orbitals have different shapes?

P and S orbitals have different shapes defining what kind of bond they have like pi bond, sigma bond etc. So I was wondering what actually determines the shape and each region for different types of ...
AlwaysASK's user avatar
2 votes
3 answers
408 views

Distance of Orbitals from Nucleus relation with Energy level and penetration power

I have studied that according to Aufbau rule the energy of subshells is dependent on the sum of $ n $ and $l$ values. This would imply that the energy of subshells in a shell varies as $$ ns \lt np \...
bm27's user avatar
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Do all p orbitals really have the same energy?

If we solve the time-independent Schrödinger equation for any atom by considering only the electrostatic potential, an electron has the same probability of occupying the $p_{x}$ orbital as it does the ...
Volpina's user avatar
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Energy of d(x²-y²) and d(xy) orbitals the same with respect to trigonal symmetry?

In the orbital splitting diagrams of trigonal planar and trigonal bipyramidal complexes the d$_{x² - y²}$ and d$_{xy}$ orbitals have the same energy. I have always assumed that this is because they ...
Dion Silverman's user avatar
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1 answer
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Energy levels for H atom [closed]

Problem Statement: The number of orbitals (for H-atom) which have greater energy than $3p_y$ orbitals: $3s, 3p_z,3d_{z^{2}},3d_{x^{2}-y^{2}},2p_y, 4d_{z^2}, 4p_{y}$ The solution says that energies ...
PurposeHonest's user avatar
2 votes
1 answer
123 views

Does the Hartree-Fock energy of a virtual orbital satisfy the virial theorem?

In calculating the ground state of atoms or molecules at the equilibrium geometry, the expectation values of the kinetic, $\langle T\rangle$, and potential, $\langle V\rangle$, energies relate to the ...
GeoArt's user avatar
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What can visual observations of pi-bonding MOs explain about LCAO expansion coefficients?

For examples of CO and N2, what can their MOs tell us about their expansion coefficients? I've thought that in N2, its symmetric so the expansion coefficients would be equal from the pi-bonding MO due ...
Audrix's user avatar
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How many m values are there for the 4f sublevel. In high school so no fancy words please! [closed]

How many m values are there for the 4f sublevel? In high school so no fancy words please!
Hope Dively's user avatar
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1 answer
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According to molecular orbital theory, is the antibonding orbital empy when electrons are found in the bonding orbital?

According to molecular theory when 2 atomic orbitals combine, 2 molecular orbitals will be created. So if the electrons are in the bonding orbital will the antibonding orbital exist and just be empy? ...
CaptainAmerica Whyso's user avatar
-4 votes
1 answer
212 views

If the 2 electrons of a hydrogen molecule are more likely to be found between the 2 hydrogen atoms, why does this diagram says otherwise?

So I am reading about bonding and antibonding molecular orbitals and i can't understand how does the probability diagram show that the electron density in the sigma 1s molecular orbital is greatest ...
CaptainAmerica Whyso's user avatar
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1 answer
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Valence Electrons and Ionisation

For bromine within it’s electron configuration the valence electrons are 4s2 and 4p5 and not 3d10 and 4p5, my chemistry teacher explained this as 4s2 being less shielded than the 3d orbital. Valence ...
Mason's user avatar
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9 votes
3 answers
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How does an electrons's wave function change when it moves between energy levels?

I'm taking a class on QM and we're simulating the wave function of an electron in a box at the lowest energy level and I'm supposed to change the simulation to show the wave function for the next ...
Mikayla Eckel Cifrese's user avatar
1 vote
0 answers
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How would I draw orbitals for specific atoms (with shapes, not diagrams)?

I'm relatively new to chem and I'm learning about orbitals. I know that they have distinct shapes (s is a sphere, p is a dumbbell, etc.). However, apparently their shapes change when rotated (s ...
metror's user avatar
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4 answers
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Electron orbitals

Can electrons be found anywhere within the space described by a 3D orbital "90% of the time" (as stated in my textbook)? But that would mean they can be found right next to the nucleus or in ...
Falak's user avatar
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-2 votes
1 answer
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In which orbital is the positive charge of central nitrogen present in diazomethane? [closed]

Where is the positive charge of central nitrogen located? It cannot be in the pure p orbital because in that case there will only s-orbital left for hybridization which is not possible. If it's ...
Ashish 038 Kharb's user avatar
4 votes
1 answer
253 views

Self Consistent Field method and LCAO

I am reading about the Self Consistent Field Method and Linear Combination of Atomic Orbitals. Suppose we have one electron and one nucleus, then we can solve the Schrodinger equation explicitly. If ...
Iti's user avatar
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1 answer
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Variation in the energy of the $\ce{\sigma_{2pz}}$ orbital

Is there a specific reason why the energy of the $\ce{\sigma_{2pz}}$ orbital varies relative to the $\ce{\pi_{2px}}$ and $\ce{\pi_{2py}}$ orbitals, depending on the atomic number of the atom?
Shane's user avatar
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2 answers
116 views

Is the periodic table ordered by bonded atoms and does that change the electron configurations and ordering? [closed]

In my book (Mortimer, The Basic Knowledge of Chemistry) the electron structure of the elements is introduced, there the relative energies of the atomic orbitals are shown: 1s < 2s < 2p < 3s &...
iwab's user avatar
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9 votes
1 answer
714 views

Why does the same electron transition release photons of different frequencies for some elements?

Question: For elements in the same period with different numbers of valance electrons, why does the same electron transition release photons of different frequencies? Example: For valance electrons ...
Bryan351018's user avatar
0 votes
1 answer
147 views

What is the difference between exciting an electron to a higher bound state and removing it completely (ionizing the atom)? [closed]

We are reviewing quantum mechanics and orbitals in my class and I'm confused about the energies to move an electron to an excited state vs. remove it from an atom. Even though the electron on a H atom ...
htho's user avatar
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2 votes
3 answers
325 views

Why would a metal form an ionic compound with a nonmetal from a lower period?

Take sodium iodide for example. I understand both elements can obtain a full outer shell via the electron transfer. But doesn't the electron move from a lower-energy orbital ($3s$ in sodium) to a ...
Adam Herbst's user avatar
1 vote
3 answers
175 views

Can two wavefunctions of 1s electrons in He atom have opposite phase?

Suppose we have a He atom. I understand that its wavefunction can be written as product of 2 hydrogenic orbitals: $$\Psi(r_1,r_2) = \psi(r_1)\psi(r_2),$$ which in this case, are two 1s wavefunctions ...
bzd's user avatar
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-4 votes
1 answer
681 views

What Are Angular Nodes , Radial Nodes, Nodal Plane and Nodal Surfaces? [duplicate]

Actually, i am confused between all of them. some says that angular node is same as nodal planes and radial nodes is same as nodal surfaces... and what's the difference between nodal planes and nodal ...
Piyush Baweja's user avatar
-5 votes
1 answer
72 views

What is the energy difference between inner subshells?

For exemple, in silver the energy difference between the 4d 5s subshells is ≈ 4 eV (in the ultraviolet region, that's why it has no color, etc.), but what is the energy difference between some of its ...
Walter Grosse's user avatar
1 vote
1 answer
215 views

Why the electronic configuration of samarium is ending with 4f⁶6s²

What is coming in my mind is that 4f^7 6s^1 should be more stable as it allows two orbitals to be half filled rather than 4f^6 6s^2 in which only one orbital is completely filled....can someone please ...
Ved's user avatar
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6 votes
1 answer
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where could I find the standard atomic orbital energy of all elements?

I am trying to find the standard atomic orbital energy of all elements. Here is the data I found in some old books: I am looking for some more modernized data, I tried to look for the data in the CRC ...
Jack's user avatar
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2 votes
2 answers
233 views

Why is orbital energy not the mean between ionization energy and electron affinity when the orbital has two electrons?

In this question it is asked why ferrocene is colored when the HOMO-LUMO gap seems to be beyond the visible light range. I tried to answer that orbital energies change with electronic transitions and ...
Oscar Lanzi's user avatar
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Why does symmetrical distribution of electrons in d and f orbital lead to greate stability of these or orbitals in comparison to s orbital? [closed]

My high school textbook mentions the following as on of the reason for why Cr and Cu have thier 3d orbitals filled completely before their 4s orbital. The extra stability of d and f orbital is due to:...
Akhil Kumar Singh's user avatar

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