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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Substitution reaction of alkyl halide [on hold]

If the reaction is PhCHO + SF4 I tried to make the compound , but i think I am doing something wrong . What's the mistake ]1
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How do i make an molecular orbital diagram step by step?

My professor explained me, but i'm still unable to do a correct molecular orbital, for a diatomic molecule
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How to rationalise with MO theory that CO is a two-electron donor through carbon?

A question I am looking at is as follows: $\ce{CO}$ is isoelectronic with $\ce{N2}$. Sketch MO diagrams for $\ce{CO}$ and $\ce{N2}$. Point out key differences between the diagrams and use the ...
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34 views

Hybrid orbitals in molecular orbitals

In our textbook there are two topics that I can't make connection between: hybrid orbitals which (as I understand) are used to demonstrate the spacial shape of molecules like CH4 with VSEPR while ...
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22 views

table of expanded electronic structures of atoms

Where can I find the table containing expanded electronic configurations for atoms in periodic table, showing how outer electrons are distributed between different atomic orbitals? Well, i need just ...
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22 views

Relationship between ionization energy and orbitals

My chemistry book says that the ionization energy depends on the orbital an electron is taken from? I'm not sure I understand what it means. Could someone please explain this?
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What is the difference between a positive and negative electron orbital?

Why are do some electron orbitals have a negative number in the subscript (i.e. f-1), some a positive (f1), and some have a 0 (f0)? What do these numbers tell you about the atom? I know that these ...
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Are electron orbitals in a helium atom degenerate?

In a hydrogen atom, the presence of only one electron allows various orbitals' energy states to be dependent only on the principal quantum number and not on angular momentum. Orbital degeneracy and ...
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47 views

Why is there only one nodal plane in σ* molecular orbitals for homodiatomic molecules?

I know that there's one nodal plane exactly inbetween the σ* MO however why is there not three nodal planes in total? As the picture shows three areas of zero electron density (one on each P ...
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39 views

Can ionic and covalent bond be explained in terms of orbitals?

Covalent bonding is stated as overlap of atomic orbitals .In ionic bonding the composite ions are held together by their electrostatic charges that result from the transfer of electrons from one atom ...
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1answer
87 views

Why are metals conductive in terms of orbitals?

Back in high school I was taught a definition of metals: Metals are a lattice of positive nuclei embedded within a sea of delocalised electrons Metals are conductive because the electrons aren't ...
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105 views

Can we find 100% probability region in an orbital if the position of an electron is limited by speed of light?

The square of the wavefunction gives probability density of finding an electron somewhere in the orbital. The text I'm referring to says that the value of probability density is always higher than ...
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52 views

2 electrons with the same spin in the same orbital

When two electrons are in the same orbital and they have the same spin do we say that the electronic configuration is impossible or that it refers to an excited state?
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36 views

Why p,d and f orbitals have non spherical shapes [duplicate]

I know what orbitals are. The orbitals are solutions (also called wave functions) to the (time-independent) Schrödinger equation[ref]. What I don't understand is why p,d,f orbitals have non ...
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1answer
73 views

What are the height and width of the large and small nodes of the sp3 hybridized orbitals of carbon and silicon?

I will make an effort to interpret answers based on wave functions, but I am a senior pursuing a bachelor's degree in Biology, so I don't have the background in quantum physics for a purely ...
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1answer
107 views

Photoionisation microscopy of hydrogen - where are the p orbitals?

In this Physics Review Letters article, which was published in 2013, but I found recently, the authors report photoionisation microscopy images of hydrogen atoms in various electronic states. A. ...
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41 views

Are empty orbitals degenerate?

This is apparently a true statement: "In a hydrogen atom, the 2s and 2p subshells have the same energy." Why is this the case? Why would they be of the same energy? Wouldn't the 2p be slightly ...
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72 views

Why can't lone pairs remain in unhybridised orbitals?

I have seen that lone pairs are almost invariably counted for determining the hybridisation of an atom. My question is why can't they remain in unhybridised orbitals.
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1answer
50 views

Are highest energy electrons lost first?

In the ground-state, is it always the case that the orbitals with the highest energy donate the electrons when the atom is ionized?
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Why does increasing orbital energy mean an electron can be more easily lost?

Why is the higher the orbital energy, the easier the electron lost? Also, if the distance between the electron and nucleus is getting father,the electronegativity is getting weaker, the electron is ...
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1answer
47 views

Question about energy of orbitals under a crystal field

It is shown in octahedral crystal field splitting that both the $e_g$ orbitals have equal energy. But how can that be possible ? The $d_{x^2-y^2}$ is directed along both the axes (x and y) whereas ...
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Electron configuration of Excited States of Fe

The electron configuration of the ground state of $\ce{Fe}$ is $\mathrm{1s^2 2s^2 2p^6 3s^2 3p^6 4s^2 3d^6}$. What are the configurations of its first and third excited states? The first excited ...
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What is the correct order of subshell energies? [duplicate]

I was taught in high school that the order is given by the Aufbau Principle: 1s>2s>2p>3s>3p>4s>3d>4p>5s>4d>5p>6s>4f>5d>6p... Why is the 3d subshell higher in energy than the 4s subshell if it is in a ...
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69 views

Why do atoms bond? Why are unfilled valence shells energetically unstable? [closed]

I teach school Physics. And am trying to get a reasonable explanation of the root cause of the energetic instability of unfilled outermost electron shells that leads to atoms bonding. For most of what ...
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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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1answer
105 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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1answer
58 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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How does CASSCF yield a more-negative total energy from less-negative orbital energies?

When comparing single-configurational Hartree-Fock computations with corresponding CASSCF results, it appears that the CASSCF calculation is somehow able to generate more-negative total energies from ...
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213 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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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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101 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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33 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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142 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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279 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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215 views

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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1answer
81 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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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
74 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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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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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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2answers
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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
110 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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1answer
58 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 ...