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].

Filter by
Sorted by
Tagged with
1
vote
1answer
36 views

Exchange energy of d6 configuration

In NCERT Chemistry book, it is given as: Exchange energy is responsible for the stabilization of energy state. Exchange energy is approximately proportional to the total number of possible pairs of ...
1
vote
0answers
32 views

Probability of finding electron in each orbital

This may include some quantum physics. Are there anyways to describe the wave function of Hydrogen's orbital (or that of a Hydrogen-like atom) in terms of the wave function of each orbital? You can ...
2
votes
1answer
84 views

Effect of d-orbital electron shielding on atomic radius

In a standard book it is given: "Atomic radius of Gallium is less than that of Aluminium. This can be understood from the variation in the inner core of the electronic configuration. The ...
-1
votes
0answers
35 views

What is the relation between distance from nucleus and shielding power?

In my chemistry textbook it is given as: "Comparing orbitals within the same shell, we say that the s orbital is more penetrating than the p or d orbitals, meaning that an electron in an s ...
1
vote
1answer
50 views

Why doesn't the graph of radial part of wavefunction of 2p orbital change its sign? [closed]

Below I have given the graphs of radial part of the wave functions of $\mathrm{2s}$ and $\mathrm{2p}$ orbitals respectively. The graph of the $\mathrm{2s}$ orbital makes sense. It has a radial node ...
1
vote
1answer
49 views

Why d and s orbitals overlap even when there is considerable difference in their energies?

In my grade 11 chemistry NCERT textbook, its written that hybridization happens when orbitals of almost same energy overlaps. But S orbital and D orbital have significant difference in their energies. ...
1
vote
0answers
20 views

molecular orbital theory and crystal field theory confusions

I am a high school student and I am very confused in Molecular orbital theory, it says that when two orbitals overlaps in the same phase, they form antibonding orbitals and when they overlap in ...
-1
votes
1answer
110 views

What does the wave function of an electron look like? [closed]

In quantum mechanics, in the 'particle in a box' topic, I studied that by solving the Schrödinger equation, we can actually find out what the wave function of the particle in a box looks like. ...
2
votes
0answers
67 views

Application of statement: extent of overlapping is always less than 50% because of electronic repulsion [closed]

Question from the online class: Can two s-orbitals overlap as shown? Dotted circles in diagram depict maximum probability region of s-orbitals in ideal situation when atoms A and B are not bonded. ...
1
vote
1answer
44 views

Radial node in p or d-orbital

While studying atomic orbitals and nodes, the only illustration of a radial node that I could find is in an s-orbital (like here). How do the radial nodes look like in p or d-orbitals? (I don't know ...
1
vote
0answers
40 views

Relation between the number of hybridised orbitals and the number of sigma bonds

March's Advanced Organic Chemistry (8th Ed.), has in its first chapter several tantalizing statements of the following variety; Boron has only three valence electrons available to form bonds, hence ...
-5
votes
1answer
53 views

Can chlorine show negative mesomeric effect due to presence of d orbital? [closed]

I was wondering in this problem that if chlorine will show positive mesomeric effect as it is at para-position and strength of inductive effect decreases with distance from carbon atom and chlorine ...
4
votes
0answers
39 views

Orbital Interaction for electrophile and nucleophile

Clearly the above diagrams depict the interaction between empty orbital of electrophile with filled orbital of nucleophile. We may assume that the HOMO of nucleophile being more electronegative will ...
1
vote
0answers
78 views

Names of the f suborbitals. (Reference Request)

Today, I have been browsing the internet to know the names of the "f" orbitals. But I have varying answers on the web. Different sources seem to be stating different names. Like here, and ...
0
votes
0answers
34 views

S(p)-C(p) vs. O(p)-C(p) overlap

In Grossman, The Art of Writing Reasonable Organic Reaction Mechanisms, he provides the following explanation. The question asks to explain why the difference in pKa values between PhSH and EtSH is ...
7
votes
1answer
131 views

Basics of wave-mechanical model of atom

Why is it that for the $\mathrm{d}$ subshell we have $\ \ \mathrm{d}_{xy}, \ \ \mathrm{d}_{yz}, \ \ \mathrm{d}_{xz}, \ \ \mathrm{d}_{x^{2}-y^{2}},$ and $\mathrm{d}_{z^{2}}$ orbitals only? Why aren't ...
1
vote
1answer
91 views

Excitation of electron in Niels Bohr's atomic model

Professor taught us that an electron gains or looses only those energies which are equal to difference in two energy levels. That is $E_1 + \Delta E = E_2$ or $E_1 + \Delta E = E_3.$ What if we give, ...
0
votes
1answer
23 views

When is the n+l rule followed when working with energy of different orbitals?

While going through my book, I came across a problem which gave some options about the order of energy of 3s, 3p and 3d orbitals of hydrogen atom. The correct answer was given as: 3s, 3p and 3d ...
0
votes
0answers
34 views

Why does dilithium have a longer bond length than dihydrogen?

I've tried MO theory however they both have a bond order of 1. Which means we can not relate the bond order to the bond length. My thinking - I think that the h2 bond length is shorter due to only ...
-1
votes
1answer
68 views

Why is it that nitrogen hybridizes in ammonia, yet in F2, fluorine does not [closed]

It seems rather arbitrary to me that we have decided that nitrogen sp3 hybridizes in ammonia to stay consistent with VSEPR, yet that fluorine uses its 2p orbital to bond with another fluorine in F2 (I....
0
votes
0answers
37 views

Quantum numbers associated with electron

I wanted to get your opinion on something. I was given the electron 5p^3 and was told to find the quantum numbers associated with it. I got: n=5 l=1 Ml=1 Ms= +1/2 However, my teacher has told me that ...
2
votes
0answers
39 views

Interpreting data on molecular orbitals in GaussView 6.0 [duplicate]

Introduction I have been trying to use computational software to gain more insight into how molecular orbitals are formed, as well as their shapes and sizes in accordance with Molecular Orbital Theory....
-1
votes
1answer
44 views

Oribital comparison [closed]

When comparing the orbitals 2s and 2p only in the z axis, do they have the same energy levels and size? I am not so sure just because I know they both have a quantum number of 2. Thank you in advance!
-1
votes
2answers
74 views

Confusion regarding orbital, electron and Quantum no’s [closed]

Now , In some textbook I have read that orbital is nothing but the shape of electron . s,p,d orbitals etc. So , after knowing shape of an orbital . I got to know that inside the orbital is an electron ...
4
votes
0answers
42 views

What are “Secondary Orbital Interactions” in Organic Chemistry? [closed]

We used these to analyze the stability of molecules in an Organic Chemistry Course. My teacher analyses the stability of compounds on 3 levels: Atom level by studying the hybridization of the main ...
-1
votes
2answers
45 views

do electrons in different orbitasl in a same subshell have same energy

In valence bond theory, I suppose that electrons in say, 2px and 2py have the same energy because of the same structure of orbitals. But what about 3dxy and 3dz^2? Do they also have the same energy? I ...
1
vote
0answers
40 views

Physical interpreation of coulomb and exchange integral

When trying to solve the Schrodinger equation for the electronic hamiltonian: $$H_{el} = \sum_{i=1}^{N} \bigg( - \frac{1}{2}\nabla_i^2 - \sum_A \frac{Z}{r_{i_A}} \bigg) + \sum_{i>j=1}^{N}\frac{1}{...
-1
votes
2answers
83 views

Why electrons do not distribute evenly among the atoms in a molecule? [closed]

I was wondering why the state where electrons are evenly (or the closest to being evenly) distributed among the atoms in a molecule is not the lowest energy state? For example, in a water molecule it ...
2
votes
0answers
23 views

How do we explain NMR shielding in filled valence shells?

It is universally recognized that NMR measures the shielding of nuclei from magnetic fields by electrons. The electrons move, producing an eddy current that produces an opposing magnetic field. It is ...
-2
votes
1answer
52 views

Stability of an atom in absence of EM field

According to Bohr model of atom, electrons move up an energy level in presence of EM field and emit a photon moving down the level. In complete absence of any external EM field, shouldn't the electron ...
1
vote
1answer
40 views

Radial wave-functions and spherical harmonics of p-orbitals in a certain hypothesis

I know that the s-orbitals of H atom are spherically symmetrical. But the p,d or f orbitals aren't. So, the H-atom needn't necessarily be spherically symmetrical, as the wave-function would be a ...
0
votes
2answers
103 views

Why is the radial distribution at the nucleus 0 but not the radial wave function?

The modulus squared of the radial wave function gives the probability of finding an electron in an infinitesimal volume dv. On the other hand, the radial distribution gives the probability of finding ...
1
vote
1answer
42 views

Are electron orbital orientations filled in any particular order? [duplicate]

This question is about the magnetic quantum numbers and their corresponding orbital orientations, e.g., px, dyz, etc. Are the electrons in any given subshell distributed across the orbitals in any ...
1
vote
1answer
108 views

Why are s orbitals more “penetrating” than p orbitals?

In polyelectronic atoms, the reduction in the net central force due to electron-electron repulsion is accounted for through an effective nuclear charge that depends on a “shielding effect” of inner ...
0
votes
1answer
99 views

Is the pz orbital wave function three- or four-dimensional?

The wave function of the $2\mathrm{p}_z$ orbital is $$Ψ = \frac{1}{4\sqrt{2π}}\left(\frac Z a\right)^{5/2} r \mathrm e^{-Zr/a}\cos θ.$$ I'm confused if this function will be a three-dimensional ...
-2
votes
1answer
56 views

Distance of subshells from nucleus [closed]

Which subshell is more closer to the nucleus.4f or 6s? 6s gets filled first so does it have to be more closer to the nucleus?
0
votes
0answers
42 views

The covalent bond in HCl and the Lewis model

Can the formation of the covalent bond in HCl be explained through the hybridization model? We know for sure that it can be explained by the theory of molecular orbitals. In this way, it would be ...
0
votes
0answers
48 views

How are natural orbitals derived from the electron density matrix?

I have a $4\times4$ electron density matrix in 6-31G for $\ce{H2}$ using psi4 and I am wondering how to get the natural orbitals of the system. I have diagonalised the density matrix $\mathbf{M}$ into ...
3
votes
2answers
154 views

Does an electron's spin change when being excited?

My preconception is that when you fill an empty orbital by exciting an electron (with a photon), the empty orbital should be filled by an electron with the same spin. However, I've seen examples of ...
14
votes
3answers
780 views

Why do electrons jump back after absorbing energy and moving to a higher energy level?

Electrons in a shell absorb energy and move to higher energy levels, but they release their energy and jump back to the shell they originally were in. Why do they jump back? Why can they not keep ...
-1
votes
1answer
90 views

What does orbital mean, exactly? [duplicate]

My teacher told me that orbital is the probability distribution data of the electron around nucleus which is amplitude data in a way. An example of how my teacher actually told what it means involves ...
4
votes
3answers
372 views

Does electron mass decrease when it changes its orbit?

I have studied this in my chapter atomic structure that when an electron changes its orbit from lower energy to higher energy state , it does not state in my book that it moves there but that it ...
1
vote
0answers
25 views

Why are there only a few types of sigma overlaps?

While studying σ-bonds, I saw that only s–s, s–p and p–p orbital overlaps are being taught. But are there more such cases possible? Because apart from s and p, there are also d and f orbitals.
0
votes
1answer
85 views

What does Pauli’s exclusion principle mean in atomic or fundamental way? [closed]

It means is that no electron can have same n , l and $m_l$ but can have two different spin quantum number. I want to know why is this rule valid?Means there must be some other things happening also ...
2
votes
1answer
150 views

Is the quantum number $L$ a combination of the azimuthal and magnetic quantum numbers $(\ell, m_\ell)$?

Somehow, I am getting confused about this... In the $J=L+S$ equation about total angular momentum, which of the four quantum numbers used to describe the electrons and their states is included in the $...
2
votes
2answers
124 views

Half sigma bonds

$\ce{N2+}$ has $2$ $\pi$-bonds and a half sigma bond. First of all, how can a "half" sigma bond exist? Usually when we encounter non integral bond orders, it is mostly because of resonance ...
1
vote
1answer
128 views

Why is HBr colorless while Br2 isn't?

Bromine ($\ce{Br2}$) has a dark reddish color. If it reacts with something like benzene, this results in the formation of Bromobenzene and $\ce{HBr}$: $$\ce{Br2 + C6H6 ->[{Cat.}]C6H5Br + HBr}$$ It ...
4
votes
0answers
37 views

What is the definition of energy-independent basis?

I am reading this article by Zatsarinny and Fischer [1]. At some point they span a wave function $\Psi_{E}$ in terms of energy independent basis $$\Psi_{E}=\sum_{k} A_{E k} \Psi_{k}$$ For example, The ...
1
vote
1answer
75 views

Electron configuration of non-hybridized carbon

I'm currently learning about orbital hybridization in carbon. I see that carbon has an electron configuration of 1s2 2s2 2p2. However, there are actually three p-orbitals in the second shell, namely ...
6
votes
1answer
143 views

Can we observe the shapes of MOs? [duplicate]

Condensed question formulation: Is there an experimental method to directly visualise the 3D form of a MO wave function, or at least the electron density associated with it? Full statement: ...

1
2 3 4 5
11