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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When we write nd* in electron configurations, does that have anything to do with antibonding orbitals? (n = electron layer)

The title says it all. For example, when we make a sigma* or pi* antibonding orbital, does that correlate to excited electrons, especially in transition metals? Or is that a different topic? Thanks
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Why are higher-energy orbitals larger in size/radius?

I know the different atomic orbitals of atoms are derived from the wave function in the Schroedinger equation. Because I'm not a mathematician, though, I can't decipher the Schroedinger equation and ...
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Does atomic radius increase down a group due to the shielding effect, the increase in occupied energy levels, or both?

I understand that atomic radius increases down a group (of the periodic table) due to an increase in occupied energy levels, which puts the valence electrons in a higher energy level and further from ...
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Equation describing electrons in a atom/ion [closed]

When not only 1 electron exist in the atom/ion the electrons of the atom/ion interact with each other and with the nucleus. Do we solve this equations: or this equation? x is the position of a ...
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Why in Samarium the third electron lost is from 4f orbital instead of 5p?

In the last exercise from openstax book chapter 3.4 it shows what electrons would be removed/gained from a neutral atom to form anions and cations. In e) it states: "...Samarium trication loses ...
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How do we write spin multiplicity for Mn(2+), Mn(7+)?

Mn has atomic number = 25 Since it is an exception to electronic configuration , unlike having = $\mathrm{3d^7}$ , it has electronic configuration = $\mathrm{3d^5,4s^2}$. Formula for spin multiplicity ...
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Exploiting 8-fold symmetry of ERI tensor for building Coulomb and Exchange matrices

I'm trying to write a restricted Hartree Fock code in Fortran that reads in a file of zeroth-iteration 1 and 2 electron integrals (FCIDUMP format) and uses them to do the SCF procedure from an initial ...
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Physical origin of induction and dispersion energies

I am reading this book on non-covalent interactions. Chapter 1 states that there are 3 types of non-covalent interactions: Electrostatic interactions, which are just the coulomb interactions between ...
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Why is the distribution of electrons of calcium in K,L,M,N shells 2,8,8,2 instead of 2,8,9,1?

I'm a beginner to this topic, so this would likely sound dumb. As far as I know, when distributing electrons in energy shells, the last energy shell can't have more than 8 electrons. So for calcium, ...
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Reasoning for why anions have larger radius

I understand one thread of logic that adding electrons to create an anion creates more electron repulsion hence increasing the ionic radius. What's wrong with the reasoning that there is now a larger ...
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Is configuration interaction able to produce degenerate ground states?

I am new to multi-determinant theories. What motivates me in asking this question is the following observation: Consider the Dyson orbital of a $\ce{CO2}$ molecule whose axis is parallel to the $z$ ...
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Why SCF procedure in Hartree-Fock doesn't keep returning the same coefficients?

In the context of Hartree-Fock theory, using Roothaan formalism, we write: FC=SCE where F is the matrix of the Fock operator, C are the coefficients to be used in the construction of the wave function ...
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Electronic configuration of excited states

Fill the following table: $$ \begin{array}{lccr} \hline \text{Electronic configuration} & \text{Term} & J & E/\pu{cm^-1} \\ \hline [\ce{Ne}]\mathrm{(3s)^2(3p)^5} & & &...
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Can the electronic configurations give any information about the actual structure of the atom?

The zeroth order wavefunction for an He atom in the ground state is $\psi^0_\text{He}=\psi_{1s}(1)\psi_{1s}(2)$ and hence the electronic configuration $1s^2$. But then we start making purterbations, ...
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How does the electronic structure Hamiltonian scales with basis sets and the number electrons?

Given a chemical system with $N$ electrons and a basis set $S = \{\phi_i\}$ with $K$ basis functions. If one to discretize the Hamiltonian with this basis sets, what is the dimension? The electronic ...
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How can I formally justify the description of an electronic excitation that includes only the relevant orbitals?

I am writing a small program to animate electronic transitions. To do this, I am animating a Rabi cycle for a single electron as it moves from an occupied into a virtual orbital. The on-resonance ...
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Why electron configuration of thulium is $[\ce{Xe}]~\mathrm{(6s)^2(4f)^{13}}$ instead of$[\ce{Xe}]~\mathrm{(6s)^1(4f)^{14}}$?

We know that half-filled or full filled orbitals are more stable. That's why the ground state electron configuration of gadolinium is $[\ce{Xe}]~\mathrm{(6s)^2(4f)^7(5d)^1}$ rather than$[\ce{Xe}]~\...
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What does valence electron mean (in the context of spdf orbitals)?

For a little bit of context, my background is in physics and my understanding of chemistry doesn't go past, say, middle school level. Recently, I decided to self-study chemistry and picked up "...
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Do Ions with less stability have less energy of ionization than those who are stable?

Problem. I've come up with the strange example of the third energy of ionization of both $\pu{Mg}$ and $\pu{Al}$, the standard logic that is to be applied on any problem of "which element has ...
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How can I understand if my system has degenerate electronic configuration?

How can I understand if my system has degenerate electronic configuration? I'm running some post-HF methods and in the meanwhile try to understand which is the most accurate method for my system. ...
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Why does/doesn't sodium carbide exist?

(Here, I quote a question from an Indonesian undergraduate Chemistry competition: "sodium carbide reacts with water to form ethyne gas." This is the problem that caused me to ask this ...
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Can a metal be forced to form an anion theoretically? [duplicate]

I know that metals have the capability to lose electrons and form cations, but is it also theoretically possible to supply an electron to a metal so that it forms an anion? If so, has it ever been ...
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How is electron richness defined?

What does it mean for an atom/molecule to be electron rich? For instance, why is the methyl carbanion considered electron rich (having excess electrons) even though it has a complete octet, no more, ...
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Total orbital angular momentum in a filled p subshell

From "Physical Chemistry", P. Atkins, J. De Paula, 9th edition, page 358 "A closed shell has zero orbital angular momentum because all the individual orbital angular momenta sum to ...
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Electronic Configuration and Octave Rule [closed]

According to Octave rule, a shell cannot hold more than 8 electrons But according to atomic orbitals, The maximum number of electrons in the shell with principal quantum number ...
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Why does increasing subshell cause ionization energy to decrease?

I know that increasing subshell decreases ionization energy; for example, going from Beryllium to Boron. I do not understand why this is. The answer my textbook (Chemistry 2e on OpenStax) gives is ...
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The ways to determine if an ionic compound is paramagnetic or not

Find which of $\ce{Na2O2}$ and $\ce{CsO2}$ is paramagnetic. (Adapted from JEE advanced paper-1 2016, q.22) The given solution involves removing the cations and taking the anionic part, i.e. $\ce{O2^2-...
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Why are protons more common than hydride ion?

I'm a high school student. I noticed $\ce{H+}$ ion is commonly present in my books while I didn't find any presence of $\ce{H-}$ ions in my books. However, I found on internet that $\ce{H-}$ also ...
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Do covalent bonds fit in with the orbital theory of atomic structure?

Which atomic model do covalent bonds adhere to? In the the covalent bond between $2$ oxygen atoms, we consider each oxygen atom to have $6$ valence electrons, thus resulting in a double covalent bond. ...
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Can molecular systems display negative magnetic susceptibility of a higher magnitude than bismuth?

Bismuth has the biggest value when it comes to a negative magnetic susceptibility than all other elements, ignoring superconductors, as they would have a value of -1. Yet, when tables displaying ...
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Are there any ways of modifying molecules to increase their probability of two photon absorption?

While checking two photon microscopy, the use of high flux femtosecond laser is required for the dual absorption of photons, due to the low probability of these two photons being absorbed. Is there ...
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The ambiguity regarding aufbau principle

According to a Blog https://ericscerri.blogspot.com/2012/06/trouble-with-using-aufbau-to-find.html written by Dr.Eric Scerri, On moving from the $\ce{Sc^3+}$ ion to that of $\ce{Sc^2+}$ it is plain ...
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How can a hydrogen atom ever emit an X-ray photon?

From Scientific American, February 2014: The Proton Radius Puzzle: ...we had to tune the laser so that it came in with exactly the right amount of energy. The atom would make the jump to the higher ...
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What is the average distance between electron 'shells' in an atom? Or between the innermost shell and the nucleus? [closed]

Somehow, I've never come across any mention of the actual, physical distances between, say the 1s and 2s shells in an atom, whether large or small.... I know that p, d and f (and g?) shells are oddly ...
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How to compare magnetic moment of chromium(III) and cobalt(II) ions?

Is there any way of comparing the magnetic moments of $\ce{Co^2+}$ and $\ce{Cr^3+}$ gas phase ions by just going through their electronic configuration?Or is it just experimental data?
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What happens to the 2s orbital in carbon-hydrogen bonds? [closed]

I was taught in high school that carbon atoms by themselves are capable of establishing covalent bonds with with as far as four hydrogens atoms. Nowadays, trying to understand the topic in-depth, I ...
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Why is potassium less dense than sodium?

Potassium has a density of $\pu{0.86g/cm3}$ and sodium has a density of $\pu{0.97g/cm3}$,even though potassium is below sodium and one might expect the alkali metals to exhibit monotonously increasing ...
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What is electronic configuration of manganese in the manganate(VI) anion?

The electronic configuration of the central atom of $\ce{[MnO4]^2-}$ if given out to be $e^1\,t_2^0$ I want to know how to identify which one of the d-orbitals does this configuration utilizes because ...
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How are Quantum Dot molecules formed and what properties do they hold apart differently from singular quantum dots? [closed]

I am trying to understand the science and phenomena behind the function and operation of quantum dot molecules, but the only articles I run into talk about the synthesis of them. Could this be ...
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Is the spin of the transferred 4s electron always opposite to the spin of 3d electron in chromium?

I am studying atomic structure and found out that Chromium has an exception in electronic configuration. One electron from 4s jumps to 3d to achieve stability. let's say the spin of transferred ...
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Noble gas configuration and valence shell electrons [duplicate]

I know that the maximum number of electrons within a shell is equal to 2n^2. I would think that the noble gases would reflect this but that isn’t always the case n = 1 2(1^2) = 2, this is the atomic ...
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Bond formations in doping of semiconductors [duplicate]

I was reading about semiconductors and found out that semiconductors are doped with either 13th group or 15th group elements which are named p-type and n-type semiconductors, respectively. In n-type ...
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Are these correct? [closed]

We were tasked to write the electronic configuration of the elements in the third energy level. My answers are: 1s2 2s2 2p6 3s1 1s2 2s2 2p6 3s2 1s2 2s2 2p6 3s2 3p1 1s2 2s2 2p6 3s2 3p2 1s2 2s2 2p6 3s2 ...
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Why does Co(I) have a 3d8 configuration?

Why is the electron configuration of $\ce{Co^+}$ $[\ce{Ar}](\mathrm{3d})^8$? Since neutral $\ce{Co}$ itself has a $[\ce{Ar}](\mathrm{4s})^2(\mathrm{3d})^7$ configuration, wouldn't the ionised electron ...
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Should Birge–Sponer plots always have a negative gradient?

I have a set of data I would like to use the Birge–Sponer extrapolation with, but the data is the wavenumbers of the bands in the vibrational-electronic spectrum of a diatomic molecule for $v' = 0, 1, ...
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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 ...
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D block elements electronic configuration

We have found the electronic configuration of d block elements.As we move from left to right in the periodic table the energy of the 3d subshell is decreased and it becomes smaller than the energy of ...
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Predict the valence configuration of this element using the first five ionization energies [closed]

If the first five ionization energies of an element are, respectively: $\pu{1.09 kJ/mol}$, $\pu{2.35 kJ/mol}$, $\pu{4.62 kJ/mol}$, $\pu{6.22 kJ/mol}$ and $\pu{37.83 kJ/mol}$, to which group of the ...
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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}{...
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Help understanding how "steric effects" are distinct from "electronic effects"?

@jakebeal's excellent answer to Why do animal cells “mistake” rubidium ions for potassium ions? includes the following passage: In the case of potassium versus sodium, which are both very important ...

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