Questions tagged [electronic-configuration]

In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals.

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How can a neutral atom attract electrons when it's supposed have zero charge? [on hold]

A neutral atom is an atom with an equal number of protons and electrons We know the force of attraction between the proton and electron is equal and assuming that: one proton's positive charge ...
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Coulombic energy of repulsion and exchange energy

In this Wikipedia link about the excited states of oxygen, this diagram is shown. The left most molecular orbital diagram is the first excited state of oxygen, and the MO diagram in the middle is the ...
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Electronic configuration of Co³⁺

Cobalt (atomic number 27) has electronic configuration $[\ce{Ar}]\mathrm{(4s)^2 (3d)^7}.$ I have seen two different configurations and explanations for $\ce{Co^3+}$ from a variety of different ...
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Why does ethene not disintegrate upon excitation?

The average c=c double bond has somewhere around 614 kJ/mol of energy, if we convert it to eV, then the bond strength is roughly 6.4 eV. Additionally, Ethene absorbs light at 171 nm. However, if we ...
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Do external electronic shells influence internal ones?

There is a well-known electron shielding effect: negatively-charged internal electronic shell screens external shells from positive nuclei, thus increasing their radii. Thus, 2S orbital radius of Li ...
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Are there any forbidden collisional electronic transitions?

There are spectroscopy selection rules marking some radiative electronic transitions as forbidden. For example, it is stated that single electron of H atom can not move from S2 to S1, or from P2 to S2 ...
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Is aluminium a post-transition metal?

Certainly I know to which group of the periodic table does it belong, and the IUPAC Group 13 obviously comes after groups 3–11. But look: aluminium belongs to a short Period 3 where no transition ...
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Electron shells and subshells energies [duplicate]

According to what i learned in university, the energy of orbitals increases when the principal quantum number n increases. Also, in a given shell, s orbitals have lower energy than p orbitals which ...
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Why do the d orbitals contract when pairing of electrons start, because the size should increase due to increase in energy

The energy of an orbital is proportional to its mean radial distance, and since the 3d orbital is much larger it is much higher in energy than the 3s and 3p orbitals All references from JD Lee ...
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Are Slater’s rule and lanthanide contraction contradictory?

According to most textbook and the Wikipedia page of lanthanide contraction, the phenomenon is due to poor shielding of nuclear charge by 4f electrons. However, the σ value of 4f electrons to 6s is 1....
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Ionization energy of S²⁻ vs S

Which of $\ce{S^2-}$ and $\ce{S}$ has smaller ionization energy? On one hand, ionization energy of $\ce{S^2-}$ can be predicted to be smaller than that of $\ce{S}$ because it is "easier" to remove ...
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Lewis structure of chlorine dioxide [duplicate]

The central atom in the molecule of $\ce{ClO2}$ is chlorine. Draw the ‘dot-and-cross’ diagram for $\ce{ClO2}.$ Show outer electrons only. How to draw Lewis structure of $\ce{ClO2}?$ Please explain ...
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Electronic configuration (e filling) [duplicate]

This page (https://chem-guide.blogspot.com/2010/04/aufbau-principle-and-bohr-bury-rule.html?m=1) says The outermost shell of an atom cannot accommodate more than 8 electrons, even if it has a ...
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Does this electronic configuration violate the Hund's rule of maximum multiplicity?

I know this configuration violates the AufBau principal but does it also violate Hund's rule of maximum multiplicity?
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Confused with Electronic Configurations [duplicate]

According to the Aufbau principle, the electronic configuration for $_{78}^{158}Pt$ is the following: $$[Xe]\,5s^{2} 5p^{6} 5d^{8} 6s^{2}$$ But in reality, it is: $$ [Xe]\,5s^{2} 5p^{6} 5d^{9} 6s^{1}$$...
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What is the electronic configuration of La⁺? [closed]

Second IP of La is most likely to second IP of which element: (1) Be (2) Ba (3) Ca (4) Zn The given answer is calcium. I don't understand if the 6s electron or the 5d electron leaves on ...
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Additional example determining Marcus parameters searched

Background / theory: The electron transfer in organic materials was formalized by the Marcus theory, introducing $|H_{ab}|$ to describe the how molecules (or more generally: sites) are coupled with ...
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Electronic configuration in [Ni(CN)4]2-

$\ce{[Ni(CN)4]^2-}$ is a low spin , inner orbital complex having $\mathrm{dsp^2}$ hybridisation. According to Crystal Field Theory, $\ce{CN^-}$ is a strong field ligand that causes pairing of ...
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Plutonium element configuration

For Plutonium 94 when I do it's element configuration I get 1s2-2s2-2p6-3s2-3p6-4s2--3d10-4p6-5s2-4d10-5p6-6s2-4f14-5d10-6p6-7s2-5f6 I found on this site that I'...
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Electronic configuration

I was preparing for an exam and I saw one question which is difficult to understand: The electronic configuration $\mathrm{(1s)^2(2s)^2(2p)^6}$ does not belong to: a) any element b) anion ...
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What is the electronic structure of Mn in KMnO4 and K2MnO4?

I know that is is d3s hybrid. But in my book it is unclear which orbitals participate in pi bond with O. I think it should be both p and d orbitals of Mn that do.
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What is the definition of a bipolaron and a dipolaron?

I wondered about the exact definition of a bipolaron? In particular, if I have an oxygen vacancy in a metal oxide and the 2 excess electrons (when forming a neutral oxygen vacancy) localise on the 2 ...
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Explanation of metallic crystal structures using orbitals and electron configuration

There has to be a direct relation between metallic crystal structure formation and electrons in orbitals. For instance, we know that Fe2+ forms body centered cubic or bcc structure with the ...
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Why is a compound that is more stable gives out less energy upon reaction? [closed]

I am having trouble relating stability with energy released. For example, I am looking at a statement regarding Benzene that says, since delocalised electron model of Benzene is more stable than the ...
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Why is the graph of fluorescence vs. wavelength continuous?

If the emission of a photon from an excited state to the ground state occurs with a precise energy, then why is it that wavelengths that differ from lambda max have values on a fluorescence vs. ...
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How to write electronic configuration of p-orbitals?

For example, the electronic configuration for the element boron can be writen as: 1s2 2s2 2p1 However, it is can be written more accurately by taking the different p-orbitals into account: The ...
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Two different electronic configurations for cerium

Depending on the textbook there are two different electronic configurations stated for cerium. On the one hand $$[\ce{Xe}]\mathrm{4f^15d^16s^2}\quad$$ and on the other hand $$[\ce{Xe}]\mathrm{4f^...
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Autoionization state

I am reading this paper: "Role of Autoionizing State in Resonant High-Order Harmonic Generation and Attosecond Pulse Production" In the paper a transition from the $\ce{In+}$ ground state to an ...
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Removal of electrons from orbitals doubt

I recently encountered a question asking whether [PtCl4]2- has square planar geometry. I know that Pt has an electronic configuration of [Xe] 5d9 6s1, in the given compound Pt2+ is there, so the E.C ...
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Effect of spontaneous transmutation of atom in crystal

What happens to a compound when one of its atoms changes via spontaneous nuclear reaction to an atom with very different bonding? For example, beryllium-7 turns into lithium-7 with a half-life of 53 ...
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Can factors such as non-chelating ions in solution or the temperature of solution change the d orbital splitting of complexes?

My currently primitive understanding of metal complexes is that the d orbital splitting depends on: Identity of central ion Charge density of ligand Geometry of complex ion oxidation number of ...
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Shortcut method to find atomic term symbols ignoring the spin orbit coupling

Is there any shortcut method by which we can find the atomic term symbols ignoring the spin-orbit coupling, i.e. ignoring the values of J. For instance, when writing the d-d transitions for any ...
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What are the differences in shapes between molecular geometry and electronic geometry?

In my chemistry course we are told that molecular geometry considers only atoms as part of the shape, while electronic geometry considers atoms and electrons as part of the shape. However, I can't ...
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Ammonium considered as metal

Why ammonium ion has very similar properties to the heavier alkali metals and is often considered a close relative? Ammonium is expected to behave as a metal ($\ce{NH4+}$ ions in a sea of electrons) ...
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1answer
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Cerium electronic configuration change from 0 to +2 oxidation state

Cerium in $0$ oxidation state has electronic configuration $$[\ce{Xe}]\mathrm{(4f)^1(5d)^1(6s)^2}$$ But when it gets oxidised to $+2$ state, it becomes $$[\ce{Xe}]\mathrm{(4f)^2(5d)^0(6s)^0}$$ ...
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How do I calculate the full configuration interaction Hamiltonian of H2

I have been trying to follow the paper titled "Towards Quantum Chemistry on a Quantum Computer" (https://arxiv.org/pdf/0905.0887.pdf) by simulating their results on a quantum computer simulator. ...
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Why BiCl5 isn't stable?

I read this in a textbook: $\ce{Bi(V)}$ is very unstable and is a good oxidizing agent. Why does it happen that way? Is it because in $\pu{+5}$ oxidation state $\ce{Bi}$ pulls in more electrons ...
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How to derive a state symmetry in D2h point group from its wavefunction?

Let's have an atomic carbon with the following electron configuration: $$ 1s^2 2s^2 2p^2 $$ One of it's levels is ${}^1S_0$, which is corresponding with the following state: $$ \begin{align} \left| ...
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How to specify atomic carbon terms in the coupled and uncoupled representation?

So, we know, that the atomic carbon in the electronic configuration $1s^22s^22p^2$ has the following terms $${}^1S, {}^1D, {}^3P$$ My question is - how can I correctly specify these terms in the ...
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Aufbau principle in filling Ti

A few weeks ago, I was given this question to complete: The ground state electronic configurations of Ti is $\ce{[Ar] 4s^2 3d^2}$ State whether it follows the Aufbau principle or not. If not, ...
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What does it mean that an electron quantum numbers are n1= 4 - l1?

I'm trying to solve some exercises from the 2017 IChO, and the problem 6-A1 states that in first ionization, an electron with the quantum numbers $n_1 = 4 - l_1$ is removed. Now, I've never seen ...
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Why is helium considered as a non-metal?

How can helium be considered as a non-metal based on its chemical properties? Helium is a noble gas; it does not take part in chemical reactions under ordinary conditions. But non-metals tend to gain ...
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Software for the atom model of all elements [closed]

I want an atom model with shells but I haven't found one yet and the only software that created an atom was Cinema 4D. This software is not for beginners like me and I used a tutorial to make an atom ...
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Density of d-block elements

Something that confuses me slightly is the trends in density when comparing periods 4, 5, and 6 in the d-block. Looking at periods 5 and 6, the density peaks at group 8, with ruthenium and osmium, ...
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Which is more reactive, chlorine radical or chloride ion?

Ions are very reactive for obvious reasons (i.e. Coulomb force); $\ce{Cl-}$ ions will be very quick to form an ionic bond with positive ions (unless inhibited, e.g. through being in a solution; let's ...
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Why has na 1S0 term Ag symmetry?

This question is a continuation of Molpro - Connection between atomic term symbols and system symmetry. In the Feodoran's answer I found it somehow confusing, that ${}^1S_0$ term should be totally ...
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118 views

Molpro - Connection between atomic term symbols and system symmetry

Let's say I have a carbon atom with the electron configuration $1s^22s^22p^2$. We know, that using atomic term symbols we can describe the following states: $${}^3P_0, {}^3P_1, {}^3P_2, {}^1D_2, {}^...
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What is the sense of electronic configuration of an atom if an electron can be in any superposition of energy eigenfunctions?

I recently started learning abou the quantum mechanical explanation of hydrogen atom. In the derivation of the wave functions of hydrogen atom we find its energy eigenfunctions. But according to the ...
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Connection of term symbols with specific microstates for atomic carbon

I'm currently studying atomic term symbols. I wanted to try it on a simple atomic carbon with the electron configuration $1s^22s^22p^2$. I know, that only open-shell electrons are involved in the ...
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Why is the active space for the dinitrogen cation defined this large in my example?

I have a Molpro script which computes $\ce{N2^+}$ potential energies. The significant part is the input for the wave function: ...