An orbital is a theoretical stable standing waveform shape in which one or two electrons can be found orbiting the nucleus of an atom.

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How are the hydrogens attached to the nitrogen atom in the ammonium ion?

Naively attaching hydrogens to a nitrogen atom's electron orbitals results in a picture like this: However, there are two problems with this drawing that I can see. First, I have heard that the ...
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66 views

What kind of bonds can form between benzene and transition metals in π-complexes?

I'm trying to draw the six π-orbitals (3 bonding, which are filled, and 3 anti-bonding) of a benzene ring when it complexes with metal d-orbitals and which metal orbitals have the correct symmetry ...
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Negative LUMO Energy

During the (DFT-)computations that I have done over the last years, it happened quite often that I got negative energies for the LUMO and many times also for a bunch of virtual orbitals. Is there a ...
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50 views

How can the size of atom be the cause of octet expansion?

Lately, I was reading The Lewis Theory of Covalent Bonding by Peter Atkins in Appendix 4 of 'Elements of Physical Chemistry'. There he was talking about expansion of octet . As he wrote: Many ...
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96 views

Why do octahedral metal ligand complexes have greater splitting than tetrahedral complexes?

Octahedral complexes have greater splitting in the d orbitals. Is it because octahedral complexes have more atoms and thus more interactions?
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66 views

Do orbital models derive from the solution of the stationary Schrödinger equation?

I know that hydrogen-like atomic orbitals can be seen as a solution of the stationary Schrödinger equation - but what about atoms with more electrons? As I am a pupil and quite uneducated about this ...
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73 views

Do really the electrons could only orbit in specific orbits with a fixed radius?

According to Bohr's model of atom The electrons could only orbit the nucleus in specific orbits or shells with a fixed radius. Only shells with a radius given by the equation below would be ...
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Non-mathematical explanation for why the 3d orbital generally has higher energy than the 3p orbital [duplicate]

Why does the angular momentum of orbitals(l) affect the orbital's energy? Please provide a qualitative answer.
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28 views

Lower an electron energy level by pressure [closed]

When an atom is in extreme pressure like a little before it's Schwartzchilds radius, can the electrons in higher energy levels physically be compressed into lower energy levels?.
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115 views

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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274 views

Existence of orbitals

Do orbitals exist even when they are not occupied? For example: $\ce{Cr^{+3}}$ has the configuration $\ce{[Ar]}\mathrm{3d^3}$ with the other two $\mathrm{3d}$ orbitals empty. We know the other two ...
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How to illustrate the bonding in PCl4(+) and CO2 by drawing the atomic orbitals?

Illustrating the bonding in the following molecules by drawing how the atomic orbitals are used to form the compounds A. $\ce{PCl_4^+}$ B. $\ce{CO_2}$ I believe the question is prompting to ...
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Computing two-electron integrals with an STO-3G basis set

I am trying to implement a restricted Hartree-Fock calculation using an STO-3G basis set, for fun. I managed to perform this calculation where only $\mathrm{1s}$ orbitals are present ($\ce{H2}$ and ...
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72 views

General notation for one of the d-orbitals

What is the general notation to represent the d-orbital with $l=2$, $m_l=0$, i.e. the orbital normally referred to as $\mathrm{d}_{z^2}$. To elaborate more, this orbital can be ordered in various ways ...
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53 views

MO shapes for dx2-y2 sigma bond

How do the Bonding and Anti-bonding MOs of dx2-y2 sigma bonding with another dx2-y2 look like ? I mean to ask that if the sigma bond is along the x-axis then is the shape of the lobes along y-axis ...
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1answer
65 views

Electron configuration and the 2p orbital

I looked through the questions already asked about this topic and they were very specific and over my head. I'm having trouble with the basics. When drawing orbital diagrams I know electrons are ...
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326 views

dsp3 and sp3d Hybridization

What is the difference between dsp3 and sp3d Hybridization ? Are they one in the same ? Also , I have a book that says that in compounds where the central atom is dsp3 hybridized , it's shape is ...
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92 views

What is the purpose of calculating other orbitals than HOMO and LUMO?

In this video of benzene orbitals, a lot of different orbitals are presented. Even orbitals that, I assume, could never be occupied. So what is the purpose of calculating all these orbitals? Isn't all ...
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Simple Explanation of orbitals

Imagine I was your little brother, how would you explain an orbital to him? (assuming he knows what atoms electrons and neutrons are, and the rest of the basics till that point.) I have been reading ...
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Which orbital in a subshell gets filled first?

Let's say we're filling electrons in subshell 2p. This subshell will have $m_l = -1$, $m_l = 0$, and $m_l = 1$ orbitals. Does the 'filling' of electrons depend on the value of $m_l$? Meaning, does the ...
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Quantum Numbers

Why are the Lanthaide (atomic #'s 57-71) elements in period 6, but in terms of electron configuration, are assigned the principal quantum number of 4? Why are certain subshells assigned quantum ...
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1answer
82 views

Please explain the shapes of the orbitals [duplicate]

For a lot of years, I had been believing that sphere was the most stable 3-dimensional shape. But after coming across the p,d and f-orbitals, I am unable to comprehend the fact that these orbitals ...
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49 views

How it was observed, that elements in columns 6 and 11 assume abnormal electron configuration?

Reading this question about why do elements in columns 6 and 11 assume abnormal electron configurations I wondering, how this was observed.
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How are related the electrons magnetic dipole moments in atomic orbitals?

I wondering, has somebody ever try to take in account the electrons magnetic dipole moment for the shapes of the probability distribution in atom? Does this magnetic dipole moment play any role in the ...
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Calculating binding energies for excitated levels in potassium?

Suppose a laser is used to excite electronic transitions in potassium from the $3p$ orbitals to ones higher than $4s$. When I attempt to use the Bohr model to calculate binding energies, what I obtain ...
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159 views

What exactly is an orbital?

What exactly is an orbital? Atomic or molecular. Is it the function that describes the behaviour of the electron? Is it the Schroedinger's equation solution, e.g., for Hydrogen atom? Is it the ...
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Rendering and visualization of orbitals of an atom? [duplicate]

I am looking for program that would display and render the orbitals of an atom. Preferably display all orbitals. Specifically Argon. Its not duplicate. I am looking for visual appealing rendered ...
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61 views

Why are the d-orbitals so named?

Why are the $d$-orbitals so named? The naming of $p$-orbitals is fine. I can easily name any p orbital according to the axis along which it is oriented. But what about $d$- orbitals? Why are there ...
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2answers
71 views

What do the molecular orbitals of a single water molecule look like?

Some time ago, (a few years back) I heard that the orbitals of a single water molecule were solved analytically (or was it just numerically). What do they look like? I am interested in the shape ...
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257 views

Why is it possible to image LUMO if these orbitals are, by definition, unoccupied?

LUMO stands for lowest unoccupied molecular orbital. If it's unoccupied, how is it possible to image it? See for example in this paper ("Pentacene imaged with STM and NC-AFM").
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62 views

How are pi-orbitals delocalized in a porphyrin chain?

According to this paper, the orbitals appear delocalized mostly from left to right, and only along 1-2 units of the chain. Is that really the case? If so, Why is the delocalization only along 1-2 ...
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1answer
117 views

Hybrization of H in HNO

There is a problem that states: Find the molecular geometry of each molecule and the hybridization of each atom in the molecule. The two molecules are HNO and HCN. I found HNO to be sp3 hybridized and ...
2
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1answer
344 views

Is there a relationship between an electron's energy and its distance from the nucleus?

I have read that in Bohr's model of the atom electrons in the same atomic orbital have the same energy, and that this energy (as a result of the electron existing in a fixed atomic orbital) is related ...
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1answer
32 views

Why highly unstable cyclic boron compounds should be stabilised by two electron reduction?

I am trying to figure out why highly unstable cyclic boron compounds (such as the one below) could be stabilised by two electron reduction... My thoughts are because each Boron has an empty ...
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122 views

Can Py and Px orbital form a sigma bond?

Is it possible for a $~p_y$ and $~p_x$ orbital to overlap to form a sigma bond?
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Does the value of magnetic quantum number specify a certain orbital? [duplicate]

I understand that magnetic quantum numbers represents orientations of orbitals. I want to know if a specific value of 'm' pertain to a certain orbital? Ex- For p-subshell, the values of 'm' can be ...
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1answer
468 views

Why CCl4 does not dissolve in water while SiCl4 does

Why CCl4 does not dissolve in water while SiCl4 does? Does it have to do with d-orbitals? If yes, then how are they related?
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1answer
119 views

What is the correctly diagrammed electron probability distribution for p orbital?

This is what my book shows (the darker the more probable): The obvious places where the electron probability is zero is the midsection of the dumbbell. My question is how the probability ...
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1answer
323 views

How do Electrons Cross Nodes in Orbitals?

I was wondering in orbitals that have nodes such as the p orbital, how does the electron move from one lobe to the other? I know that people say it is because of the wave/particle nature of electrons ...
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86 views

What type of hybridization does phosphorus have in P2O5?

I'm inclined to think that P has a $dsp$ hybridization in that compound, because it makes 5 bonds and 2 of them are $\pi$ bonds - with oxygen. However, I found in some websites that it may have $sp^2$ ...
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Physical intuition behind negative values for wave function?

So a positive and a positive wave function create a bonding orbital where the probability of finding an electron is summed while a positive and a negative create an anti-bonding orbital with a lower ...
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1answer
102 views

Does the delocalization of p-orbitals ensure conductivity?

For example, polyacetylene is a conjugated system, i.e. with de-localized p-orbitals, but accroding to Chiang et. al. (1977) polyacetylene is semiconducting, and becomes conductive only when doped ...
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69 views

Guess the shape and phase of the MOs of butadiene using LCAO and Hückel's method?

I used Hückel's method along with a Linear Combination of Atomic Orbitals (LCAO) to calculate an estimate for the orbital energies of cyclobutadiene ($\ce{C4H4}$) and butadiene ($\ce{C4H6}$). For ...
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Why are covalent bonds directional?

It is said that covalent bonds are directional, while ionic bonds are not. Why? Is it because of the orientation/directional properties of the overlapping orbitals?
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How can nitrogen achieve +5 oxidation state?

Nitrogen has no available d-orbitals. Yet, it forms compounds where its oxidation state is +5, like in nitric acid. How?
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How do I visualize an atom?

I have searched and searched, oh how I have searched. I am looking for a 3-dimensional visualization of a whole (i.e., moderately complex) atom that includes orbital geometry. A proper "layered" view ...
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1answer
72 views

How come the value of principal quantum number is an irrational number?

My textbook says that for a d-electron, the orbital angular momentum is $$ \frac{\sqrt{6}h}{2\pi} $$ But since:- $$ mvr = \frac{nh}{2\pi}$$ $$ n \in N$$ where N is the set of natural numbers. So how ...
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661 views

Is the Aufbau principle violated in the diagram (b)?

The question is:- In which of the following diagrams is the aufbau principle violated:- I have tried to answer this in the following way:- Now ignoring the Hund principle, the aufbau principle ...
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518 views

What's the magnetic quantum number for p orbitals? What's for px , py, and pz if looked a seperately? [closed]

Please tell me which one is true? px orbital: m = -1 , py orbital: m = 0 , pz orbital: m = +1 py orbital: m = -1 ; pz orbital: m = 0 ; px orbital: m = +1 Please tell me which one is true and ...
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Why does hyperconjugation help for ring cleavage?

The question was to rationalize it the ring cleavage happens concerted or non-concerted. The papers "The Mechanism of the Thermal Decomposition of 1-Pyrazolines and Its Relationship to ...