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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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Are the Phosphate and Sulfate ion diagrams with double bonds an invalid picture?

Whenever you see an image of phosphate, it's always shown having 5 bonds. 3 single bonds to anionic oxygen atoms and a double bond to an extra neutral oxygen. Not only that, but they're shown being ...
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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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Most exceptions to the predicted electron configuration indicated by the periodic table (or diagonal rule) occur as a result of [closed]

a) The stability of eight electrons in the outer level b) The special stability of a half - filled sub level c) The increased energy associated with higher principal quantum numbers d) 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 $[Xe] 4f^15d^16s^2$ and on the other hand $ [Xe]4f^26s^2$. Are both configurations ...
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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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Why is the ground state electronic configuration of Group 10 (Ni group) elements so anomalous?

While studying about d block elements I came across this table showing outer shell electronic configuration of group 10 elements $\ce{Ni}$ $ $ $ $ $ $ $ $ $ $ $3d^8$ $4s^2$ $\ce{Pd}$ $ $ $ $ $...
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Do atoms react to fill outer shell or 8 valence electrons? [duplicate]

I recall in middleshool chemistry we simply said electron shell configurations were 2,8,8,many which I would have no problems with. But now I'm learning that shells contain $2n^2$ electrons where n ...
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Electronic configuration and valency of Palladium

I know that the atomic configuration of Palladium is $1s^2 2s^2 2p^6 3s^2 3p^6 3d^{10} 4s^2 4p^6 4d^{10}$. According to my textbook, the outermost shell of an element cannot have more than $8$ ...
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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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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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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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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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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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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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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 is the orbital angular momentum of a pi electron along the axis of two atoms' molecule one?

I'm reading quantum chemistry. The book says that the orbital angular momentum of a $\pi$ electron along the symmetry axis of a molecule made up of two atoms is $\pm 1$. I think this is a primary ...
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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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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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What is the reason behind the occurrence of inert electron pair effect?

I was reading the causes of variable electrovalancy and saw that most of the p block elements with configuration ns2 np1-4 have variable valancy and the reason is inert electron pair effect. I ...
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How to identify lewis acids and bases

What is the general methodology to identify Lewis acids and bases in an acid base reaction? Do we need to draw structures to identify which species is the electron donor and which one the acceptor, or ...
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Why do elements in columns 6 and 11 assume 'abnormal' electron configurations?

When I look around for why copper and chromium only have one electron in their outermost s orbital and 5/10 in their outermost d orbital, I'm bombarded with the fact that they are more stable with a ...
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How many valence electrons do elements in the d block have?

I just noticed that on the periodic table it doesn't say how many valence electrons there are for each column in the d block. How do I find out how many valence electrons elements in the d block have?...
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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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How many electrons are around the platinum in an ethenetriplatinate complex?

In $\ce{[Pt3(C2H4)]-}$, how many electrons are there around platinum? While solving this problem I thought three $\ce{Pt}$ formed a triangle with ethylene above. But I was confused about how the $\ce{...
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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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Why do 3d orbitals have lesser energy than 4s orbitals in transition metals? [duplicate]

This is quoted from Jim Clark's Chemguide For reasons which are too complicated to go into at this level, once you get to scandium, the energy of the 3d orbitals becomes slightly less than that of ...
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Can an atom bond with more than 8 other atoms?

Is it possible for an atom to bond with 8 other elements (same or other type)? If yes, then please give some examples. If no, then what could be the possible reason for it? My question is not about ...
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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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How does one find the ground-state term symbol for a configuration that is exactly half-filled?

For instance, the ground-state configuration of N atom is a $p^3$ configuration of all parallel spins and one electron in each $2p$ orbital, which has: Total spin angular momentum, $S = 3 * \frac{1}{...
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Configuration Interaction matrix composition from electronic configurations

The six electronic configurations below could all be found in the matrix elements of the CI matrix at CISD level. How do I construct the 6 x 6 CI matrix composed of these six configurations and which ...
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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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A way to calculate orbital energy of an electron

Maybe this is just not included in my course, but I still wonder how to calculate the binding energy of an electron .at a certain electron orbital. Intuitively,The ionization energy of an element ...
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Why is gold unreactive when only one electron is in the outer shell?

I've been trying to answer my (high school) daughter's questions about the periodic table, and the reactivity series, but we keep hitting gaps in my knowledge. So I showed that the noble gases have a ...
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Why do atoms need 8 electrons to stabilize? [duplicate]

As the title says. I have surfed all of the net but could never find the answer to this question. Why do atoms need 8 electrons to stabilize? I mean why not 7 or 5 or 10 electrons? Why specifically 8? ...
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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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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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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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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 Cr(2+) a stronger reducing agent than Fe(2+) in water?

According to me, $\ce{Fe^{2+}}$ should be a better reducing agent because $\ce{Fe^2+}$ - after being oxidized - will attain a stable $\ce{d^5}$ configuration, whereas $\ce{Cr^2+}$ will attain a $\ce{d^...
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What is a good (small) model system for ligand metal charge transfer practises?

I am looking for an easy to calculate model system in which I could see a ligand metal charge transfer. Basically I am looking for a model complex, that might have the metal/ligand in different ...
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What are complete active space methods and how are such spaces defined for molecules?

I am new to computational chemistry and would like to know about the active space and inactive space terminologies in MCSCF type calculations. For understanding this I have four systems: $\ce{H2O}$ ...
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The violation of a certain rule or principle in the following electronic configuration

I'm to find the violation of a certain rule or principle in the following electronic configuration: $$\ce{1s^2 2s^2 2p^1_x 2p^0_y 2p^0_z}$$ $n+l$ rule is not violated because: for $\ce{1s^2}$, $n+l=...
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How to explain the excited states in the dinitrogen cation?

The $\ce{N2^+}$ molecule has the molecular orbitals $$\ce{\sigma(1s)^2\; \sigma^*(1s)^2\; \sigma(2s)^2\; \sigma^*(2s)^2\; \pi(2p_x)^2 \; \pi(2p_y)^2 \; \sigma(2p_z)^1,}$$ which can be seen on 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: ...
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Bromination on aromatic compound

So guys, very quick question: Why does bromination occur at exactly this position on the aromatic ring? Has it something to do with the substituents and their respective electronic effects?
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Molpro - Simple explanation of OCC, CORE, FROZEN and CLOSED orbitals

I'm beginning with quantum chemistry and I'm supposed to do some ab initio calculations with Molpro. The problem is, I don't understand the orbital specification very well. Let's say, I have the ...