Questions tagged [valence-bond-theory]

Questions about how the atomic orbitals of the dissociated atoms combine to give individual chemical bonds when a molecule is formed.

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Hybridization concept applied to each atom in CO2 [duplicate]

In $\ce{CO2}$ we know that the central atom C is $sp$ hybridized and the other two oxygens are $sp^2$ hybridized , my query is regarding if we suppose the $z-axis$ to be the internuclear axis is it ...
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How does the MO-LCAO theory explain the direction of valence bonds?

As all the bells sound, the common explanation of geometry of a molecule (consider the water molecule) is due to overlaping electron density. The valence bond theory of the water molecule describes ...
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Bonding in boron icosahedra [closed]

How do boron atoms make five bonds with other boron atoms even if the electron configuration of unbound boron atoms is [He]2s²2p¹, i.e. there is an insufficient number of outer electrons? Are the ...
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-1 votes
2 answers
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Does the spin of electron in d half-filled d-orbital changes while forming low spin complex?

Recently I learned how VBT explains the formation of coordination complexes. But I am stuck at a point that seems hard to digest for me. Consider a metal ion having an electronic configuration as ...
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6 votes
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How are the energies of natural atomic orbitals calculated when they are, strictly speaking, not "meaningful" wavefunctions?

There are several programs that can calculate the "energies" of the natural atomic orbitals(NAO) that come from NBO analysis. However, I have several evidence that, unlike the energies of ...
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3 votes
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Justification for using valence bond theory and molecular orbital theory together?

Elementary gen chem books will make the careful distinction between the two theories and then proceed to claim that chemists can use both to complement each other to explain the behavior of certain ...
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What is the best way to visualize hybridization [closed]

I had learnt hybridization in various complex definitions some of them as "complex overlapping of orbitals (in quantum mechanical model) which leads in changing of shape of orbitals itself. But ...
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Why is the Br-C-H bond angle in CH3Br smaller than the Cl-C-H bond angle in CH3Cl?

Can someone explain for me why the Br-C-H bond angle in CH3Br is smaller than the Cl-C-H bond angle in CH3Cl? From what I know, F-C-H in CH3F has a smaller bond angle than Cl-C-H in CH3Cl because F is ...
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Distribution of Valence Electrons [closed]

I'm fairly confused over just how electrons are distributed in a molecule according to the lewis structure. The octet rule states that atoms have a tendency to have 8 electrons in their valence shell. ...
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Why is maximum number of covalent bonds 3? [duplicate]

In my textbook it is mentioned that maximum 3 covalent bonds can be formed within 2 atoms, which makes sense as 1 p orbital from each can be used for sigma bond and the remaining 2 can form pi bonds. ...
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Does overlapping partial density of states indicate formation of chemical bond?

Does overlapping partial density of states of two adjacent atoms indicate formation of chemical bonds between the two atoms? The partial density of states here means the density of states of an ...
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Manganese and valence layer [closed]

Why does manganese make $4$ bonds in $\ce{H_2MnO_4}$ when it has only two electrons in the valence shell?
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Hybridisation of Azide ion

In azide ion, $\ce{N3-}$, the hybridisation is $\mathrm{sp}$ because number of hybrid orbitals = steric number, the central atom $(\ce{N})$ has 6 bonds with other $\ce{N}$ atom, 2 of which are sigma ...
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Role of 'p' Orbitals in Graphite Carbons

In the graphite arrangement of carbons, if we model them according to hybridization theory, the carbons in graphite are sp2 hybridized. This would mean that one s and two p orbitals hybridize, making ...
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2 votes
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Comparing strengths of σ-bonds formed by $\mathrm d_{z^2}$ and $\mathrm p_z$ orbitals

According to my professor $\mathrm d_{z^2}–\mathrm d_{z^2}$ σ-bond is stronger than $\mathrm p_z–\mathrm p_z$ σ-bond as the extent of overlapping is greater in $\mathrm d_{z^2}–\mathrm d_{z^2}$ ...
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Why does the Lewis structure for NH2 have 4 dots and not 3? [duplicate]

Nitrogen has 5 valence electrons. So I would expect that when bonding with two hydrogens, two electrons would go into those bonds, and three would remain in place on the nitrogen. Yet, all the ...
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Which forms the stronger sigma bond- s-s overlap or p-p overlap? [duplicate]

I'm asking this question as I hear arguments for either. For s-s bond being stronger, I was told that because both are spherical, overlap can occur in any plane- a lack of directionality gives more ...
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7 votes
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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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Why is the bond angle of sulphur difluoride greater than that of hydrogen sulphide?

Why is the bond angle of $\ce{SF_2 (98.05^\circ) > SH_2 (92.11^\circ)}$? Isn't this contradicting Bent's rule or otherwise electron repulsion rule ? Fluorine is more electronegative and hence it ...
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How are 3 center-4 electron bonds any different from 2 center-2 electron bonds? [closed]

How are the bridge bonds in $\ce{Al2Cl6}$ different from the terminal bonds? We could have just mentioned the bridge bond formed by $\ce{Cl}$ as a coordinate bond. Why introduce this extra concept? I ...
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Why does NH3 cause pairing in case of some metal complexes and doesn't in case of others?

I was met with a question that required me to find which complex is an outer orbital complex, and two of the options included $\ce{ [Ni(NH3)6]^2+}$ and $\ce{[Co(NH3)6]^3+}$, I want to know why $\ce {...
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2 votes
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Application of statement: extent of overlapping is always less than 50% because of electronic repulsion [closed]

Question from the online class: Can two s-orbitals overlap as shown? Dotted circles in diagram depict maximum probability region of s-orbitals in ideal situation when atoms A and B are not bonded. ...
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Explain on the basis of valence bond theory that tetracyanonickelate(II) ion with square planar structure is diamagnetic

Answers on the internet suggest that tetracyanonickelate ($\ce{([Ni(CN)4]^{2-}}$) with square planar structure is diamagnetic because $\ce{CN-}$ is a strong field ligand and causes pairing, but my ...
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-2 votes
1 answer
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Hybrid lobes of sp3d2 and sp3d3 [closed]

It's known that $\ce{sp^3d}$ hybridization has 5 lobes; 3 equatorial with $\ce{sp^2}$ lobes and 2 axial with $\ce{dp}$ lobes. Do we have such splitting in $\ce{sp^3d^2}$ and $\ce{sp^3d^3}$ ...
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-1 votes
2 answers
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do electrons in different orbitasl in a same subshell have same energy

In valence bond theory, I suppose that electrons in say, 2px and 2py have the same energy because of the same structure of orbitals. But what about 3dxy and 3dz^2? Do they also have the same energy? I ...
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What is the difference between resonance and π conjugation

I have seen electron delocalization mentioned frequently in 2 separate contexts: resonance (ozone, carbonate / nitrate...) and π-conjugation systems (aromatic compounds). While the 2 initially sound ...
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2 votes
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is there a stead fast rule to predict hybridization or is it just an ad hoc concept

Before I start of this question, Ι want to make it clear that I know that hybridization, like pretty much all of chemical bonding, are just made up to qualitatively rationalize observations. I know ...
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3 votes
2 answers
524 views

Why does delocalization (only) occur in molecules represented by resonance hybrids?

Before I start this question, I am aware tha Electrons in all molecules are delocalized to some extent Delocalization is a the phenomenon and resonance is an attempt to explain it. When I asked this ...
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what does "overlapping" of orbitals mean and why does it effect bond strength(VBT)?

according to valence bond theory, bonds are formed due to the pairing of unpaired valence electrons due to the overlap of half-filled orbitals, and the strength of the bond depends on the extent of ...
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Direction of valence bond and Unsöld's theorem

Is it true that the atomic orbitals of separate atoms already have directionality, which ensures the directionality of the valence bond? Or another words, what is the real spatial distribution of the ...
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Why there is no sp2s hybridization in hydrocarbons? [closed]

If carbon's $\mathrm{sp^2}$ orbital is overlapped with hydrogen's $\mathrm{s},$ then why it is $\mathrm{sp^2}$ and why not $\mathrm{sp^2s}?$
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Which combinations of orbitals lead to pi bonds according to Valence Bond Theory?

How many of the following combination of the orbitals will lead to formation of $\pi$-bonds with $z$ axis being the internuclear axis: $$p_x+p_x,\,p_z+p_z,\,p_y+p_y,\,d_{zx}+p_x,\,d_{zy}+p_y,\,s+p_y,\,...
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2 answers
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Transition metals with closed shells

From wiki page about valence electrons: An atom with a closed shell of valence electrons (corresponding to an electron configuration $s^2p^6$ for main group elements or $d^{10}s^2p^6$ for transition ...
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2 votes
2 answers
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Insight into covalent bonds from electrostatic perspective

I try to understand, from the electromagnetic side only, how the molecule could be more stable than each atom, and concluded that it could not. Where is my mistake? Here is an illustration : By using ...
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4 votes
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Misconception in valence bond theory

Since the overlap increases with directional properties of orbital, $$\ce{p - p > s - s > s - p}$$ However it is also observed that the bond strength of $$\ce{H-F > H-H > F-F}$$ $$\ce{\{s ...
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Comparison between Molecular Orbital Theory and Valence Bond Theory

I have been reading about introductory Molecular Orbital Theory lately. Till now, I have used Valence Bond Theory to evaluate bonding. I have a few questions about it:- In VBT, we used the idea that ...
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Why isn't just a fully occupied valence s orbital stable?

Why arent elements like calcium with an electron configuration of $[\text{noble gas}]\ n\mathrm{s}^2$ stable, although all the populated orbitals are fuully filled? Why is it necessary to obtain an ...
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1 answer
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Maximum number of coplanar atoms in difluorotrimethylphosphorane

In $\ce{PF2(CH3)3},$ what is the maximum number of atoms lying in one plane? $\ce{P}$ is the central atom with the hybridization $\mathrm{sp^3d}.$ Two $\ce{F}$ atoms will form axial bonds with it, ...
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3 votes
1 answer
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But what are anti-bonding pi-orbital? In search for an intuitive explanation [closed]

Imagine that you want to explain to an undergraduate why they have to to shade the pi-orbitals in a symmetrical way, i.e. dark on top (+), white on bottom (-) for two neighbouring pi-orbitals because ...
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-1 votes
1 answer
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Is hypervalency a real thing? [duplicate]

I saw a proper debate going on between answers to a question about whether the octet rule could be violated. Some people were pointing to hypervalency in period 3 elements, due to the available d-...
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How to determine the shape of hybridized atomic orbitals in VB theory?

From diagrams, it's rather obvious how $sp$ orbitals are hybridized - the hybrids are just a composite of the $s$ and the $\pm p_{(x)}$ orbitals. However, $sp^2$ orbitals are not just composites of $s,...
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Hybridization state of oxygen in carbonyl sulfide (COS) [duplicate]

I've been scratching my head on this one for awhile here. In a carbonyl sulfide (COS) molecule, what is the hybridization state of oxygen? Carbonyl sulfide is composed of a single carbon atom double ...
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-1 votes
1 answer
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Backbonding in phosphorous pentoxide

I read this today in a book that $\ce{P=O}$ in $\ce{P4O10}$ consists of a coordinate bond and pπ-dπ backbonding, but why does this happen? Can't phosphorus share its lone pair with one of the lone ...
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2 votes
1 answer
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Why does this ligand form 6-coordinate complexes with Transition elements and 8-coordinate complexes with Inner transition elements? [closed]

The ligand given above shows different denticities with common transition and inner-transition metal ion i.e. 6 and 8. The extra two denticities come from the two Nitrogen having 1 lone pair each. I ...
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3 votes
2 answers
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Comparing bond angles in carbonyl dichloride and carbonyl dibromide

Background I was studying VSEPR and hybridization theory and one of the popular questions in many textbooks was comparison of bond angle of $\ce{NH3}$, $\ce{NF3}$ and $\ce{NCl3}$. $\ce{NF3}$ had ...
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7 votes
2 answers
244 views

Hypervalency of orthonitrate

I have always believed that it is impossible for the atoms of period 2 elements (when they are the central atoms in polyatomic ions/molecules) to accommodate more than 8 electrons in their valence ...
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3 votes
3 answers
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Effect of magnetization on oxidation (rusting) of iron

Can magenetizing a piece of iron bar slow-down (or speed-up) the oxidation (rusting) process? In other words have any influence on it ? From what I've looked up( wikipedia, quora), it appears that the ...
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2 votes
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Can one describe the bonding of Na to F in terms of molecular orbital theory? What about valence bond theory?

I would kindly appreciate an explanation in terms of the two accepted quantum mechanical theories -valence bond & molecular orbitals- for the electronic energy level structure in natrium fluoride $...
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Bonding and coordination of oxygen in a Ga2O3 crystal structure [duplicate]

I'm trying to find the crystal structure of gallium oxide ($\ce{Ga2O3}$). However, I find the images of the crystal structure in the peer-reviewed journals problematic. First, I hop to the wikipedia ...
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(Mis)understanding on MOT

In VBT, one can understand the example of hydrogen like this - Two hydrogen atoms come closer to each other, and their orbitals overlap, stabilize, and ultimately result in a bond. This is not too ...
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