Questions tagged [hybridization]

Hybridisation is the concept of mixing atomic orbitals to form new hybrid orbitals suitable for the qualitative description of atomic bonding properties.

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25
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2answers
768 views

Is hybridization used in ab initio valence bond calculation?

Many general chemistry textbooks introduced the concept "hybridization" to construct a symmetry-adapted VB-type wavefunction. In the textbooks, usually the minimal basis is used and without optimizing ...
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9k views

How does VB theory explain the bond angles in SiO2?

Silicon dioxide has a huge variety of structures. Most of them have a tetrahedral $\ce{SiO2}$ unit cell — the $\ce{O–Si–O}$ angle is $109.5°$, accordingly. The VB/hybridization approach to this ...
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223 views

What is the hybridization state of the carbon atoms in [10]annulene?

I know that one of the more stable structures of [10]annulene or cyclodecapentaene is planar boat-shaped. But that means the hybridization state of the carbons must have changed to suit the geometry. ...
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258 views

Electron promotion in hybridisation: A misconception

Recently, I read through a short article on Nature Chemistry, written by Michelle Francl, titled "Talking to Pauling's ghost". The article talks about how electron promotion was never something that ...
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507 views

Chemical bonding with f orbitals

For the elements such as rhenium, osmium, iridium how probable is for electrons in the inner 4f orbitals to gain energy and take part in a molecular orbital (such as an $f^2 d^2 s p^3$ hybrid orbital) ...
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132 views

How much electron hybridization and bonding occurs in liquid helium?

Helium is the only element which does not freeze at atmospheric pressure, and only forms a liquid at around 4 Kelvin due to weak van der Waals forces. I'm interested in knowing roughly how much ...
5
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0answers
492 views

Coordination Numbers and Hybridization schemes of anions

Draw the molecular structures of (a) the borax anion, $\ce{[B4O5(OH)4]^2-}$ (b) the peroxoborate anion, $\ce{[B2(O2)2(OH)4]^2-}$ ...
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351 views

Unconventional hybridisation states

I just came across a table with interesting hybridisation schemes I have never seen before. The table is shown below. I was wondering if anyone could give me some examples of atoms in particular ...
4
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0answers
72 views

Does the hybridization of sp3d2 type exist?

Is the hybridization of $\ce{XeOF4}$ $\mathrm{sp^2}$ rather than $\mathrm{sp^3d^2}$, because the latter type of hybridization does not exist? Every answer in the Quora thread "How can we find the ...
4
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0answers
3k views

dsp2 and sp3 hybrid orbital shapes in coordination chemistry

Why is $\mathrm{dsp}^2$ square planar but $\mathrm{sp}^3$ tetrahedral in shape? I am unable to find a reason anywhere. I know how to figure which hybridisation a compound is, but not why.
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255 views

Does alcohol hydrogen in the enol tautomer of a β-dicarbonyl have sp² character?

My reasoning for the somewhat implausible "$\mathrm{sp^2}$" character of the hydrogen between these two oxygens on the enol structure of the right comes from recognizing that if it were, then we would ...
2
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0answers
132 views

Which substitutent should be placed on axial position in SCl2(OCH3)2?

According to Bent's rule, in $\mathrm{sp^3d}$ more electronegative element is placed on the axial position, so between $\ce{Cl}$ and $\ce{OCH3}$ in $\ce{SCl2(OCH3)2}$ which should be placed on axial ...
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3k views

Why is the nitrile nitrogen sp hybridized?

This site, from which the above image was taken, indicates that the hybridization of the orbitals on the C and N atoms in hydrogen cyanide is sp. I can certainly see how that would be the case for ...
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647 views

Hybridization of Oxygen in Orthoboric Acid

What should be the hybridization of the oxygen atom? A) It should be $\mathrm{sp^2}$ as 1 lone pair must be in the unhybridized orbital for back bonding with boron which has a vacant p-orbital B)It ...
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1k views

length of bond, bond angle and p character in bond

My reference data: http://www.rsc.org/suppdata/ra/c4/c4ra06781a/c4ra06781a1.pdf Consider these five chemicals: A: $\ce{CH4}$ (methane) B: $\ce{CH3Cl}$ (chloromethane) C: $\ce{CH2Cl2}$ (...
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0answers
2k views

Why is an alkyne more acidic than an alkene? Or, why is acetylene more acidic than ethylene?

pKa acetylene ~ 25 pKA ethylene ~ 44 I'm not looking for the "because alkyenes are sp hybridized and more s character means their electrons are held tighter" answer because I'm not the biggest fan ...
2
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0answers
567 views

Why does AsH5 not exist?

Why does $\ce{AsH5}$ not exist? Is it because the s-orbital of H doesn't and can't overlap with the d-orbital of As after As makes $\rm sp^{3}d$ hybridization?Theoretically the bond can occur because ...
2
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93 views

How does an hybridised orbital become unhybridised after bond cleavage?

In $\ce{CH4}$, $1 s$ and $3 p$ orbitals are hybridised into four $sp^3$ orbitals. But on homolytic bond cleavage an unpaired electron remains in an unhybridised $p$ orbital? Similarly in heterolytic ...
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462 views

Effects of orbital overlap and electronegativity on polarity of binary halogen acids

I have discerned these factors affecting orbital overlap: Symmetry Type of orbital Nodes along the internuclear axis $n$ quantum number of the atomic orbitals - the number of shells of electrons Size ...
2
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1answer
445 views

Why does sp hybridised orbital have more directional character than p orbital?

It states so in my textbook. But since s orbital is non directional, shouldn't sp hybridized orbital be less directional in character than p orbital?
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1answer
67 views

Confusion Regarding Nitrogen Inversion

In nitrogen inversion, the lone pair changes its direction continuously. Does this in any way delocalize the charge density on the nitrogen making it less nucleophilic and less basic than another ...
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21 views

Hybridization theory (orbitals used in different hybridizations)

Why is $d_{x²-y²}$ orbital used in $sp^3d$ (square pyramidal geometry) while $d_{z^2}$ orbital in $sp^3d$ (trigonal bipyramidal geometry)? I came across this information while reading J.D.Lee Concise ...
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130 views

Bond length comparison in substituted phosphorus pentahalide

What would be the comparison between $\ce{P-F}$ and $\ce{P-Cl}$ bond length in phosphorus tetrafluoride chloride $\ce{PF4Cl}$ and phosphorus trifluoride dichloride $\ce{PF3Cl2}$ in the equitorial ...
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40 views

Bent's rule: electronegativity and s character

I'm very much confused about Bent's rule. What I perceive from it is that more electronegative element occupies a position which has less s character. What I can infer from here is that s character ...
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0answers
192 views

Dichlorine monoxide molecular geometry

I need to predict the geometry of Dichlorine monoxide, using the main link theory: Lewis model, VSEPR and hybridization of molecular orbitals. First, the Lewis structure is a graphical representation ...
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0answers
650 views

How to calculate steric number of methyl free radical?

According to the definition, steric number = number of atoms it is attached + lone pair. In that way, I get 4 for methyl free radical which means sp3 hybridization . But that's wrong ! Why is this ...
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0answers
2k views

Hybridisation in phosphorus allotropes

The white phosphorus has a tetrahedral structure, like this: [Image source: Wikipedia] The red phosphorus, on the other hand, has a polymeric structure: [Image source: google images] Then what ...
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178 views

The affect of effective nuclear charge on energy gap between subshells

A few days ago my teacher taught me about $\mathrm{d}$ orbital contraction. He said that in $\ce{SF6}$ the hybridization of sulphur is $\mathrm{sp^3d^2}$. He said that although the $\mathrm{d}$ ...
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654 views

Why Don't Sulfur Atoms Hybridize?

I am doing some chemistry problems with given answers, and supposedly the $107^{\circ}$ and $92^{\circ}$ bond angles in $\ce{H_2O}$ and $\ce{H_2S}$, respectively, is due to the fact that"$\ce{O}$ uses ...
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36 views

If all bond angles in AX₃ are the same, then which of the following are correct conclusions about AX₃?

Question If all bond angles in $\ce{AX3}$ are the same, then which of the following are correct conclusions about $\ce{AX3}?$ (A) $\ce{AX3}$ must be polar. (B) $\ce{AX3}$ must be planar. (...
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23 views

Electronegativity of elements on pauling scale

When we say the electronegativity of Nitrogen is 3.04 ( on pauling scale ) what is the hybridisation of Nitrogen? Similarly for other elements?
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96 views

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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0answers
127 views

Why are d(xy),d(yz) and d(xz) orbitals involved in d³s hybridisation?

Shouldn't d(x²-y²) dxy and dz² orbitals participate? Since this corressponds to the best case overlap? What factors decide the participating orbitals in hybridisation? P.S I am well versed with the ...
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0answers
155 views

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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108 views

How to Choose Orbitals for Hybridization

Recently, I was reviewing my textbook regarding orbital hybridization, and one of the problems was to determine the hybridization of each of the atoms in $\text{CO}_2$. I understand why the ...
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0answers
666 views

Deciding if a molecule is polar and non-polar in cyclic carbon compounds

While discussing about dipole moment of the compounds, our chemistry teacher told that the dipole moment will be 0 for 1,4-Dichlorobenzen, and for those compounds where same atoms or group of atoms ...
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101 views

Why is an alkenyl hydrogen more acidic than the alkyl analog?

For example, in ethene the sigma bonds are stronger overall than in ethane. ...
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0answers
493 views

How to explain shape of molecules in penta and hexa coordination if hybridization involving d-orbitals (in main block) is considered incorrect?

In this answer @Jan says: penta- and hexacoordination; tetracoordination with additional lone pairs and related: attempt to form as many normal bonds with p orbitals as possible; keep one lone ...
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31 views

Band gap difference in different allotropes of Group4 materials

Diamond and bulk Si are both Group 4 elements found in their $sp^3$ hybridized states, having bandgaps of around 5.3eV and 1.1eV respectively, but Graphene and Silicene are both $sp^2$ hybridized ...
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122 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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53 views

If I have an alloy of two materials, will I have a chemical reaction between the two materials

I have always been told that an alloy is a mixture without chemical interference between the materials, but if I look at highly doped silicon (doped with Aluminum via ion implantation and then lattice ...
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1k views

What type of hybridization does phosphorus have in P2O5?

I'm inclined to think that P has a $dsp$ hybridization in that compound, because it makes 5 bonds and 2 of them are $\pi$ bonds - with oxygen. However, I found in some websites that it may have $sp^2$ ...
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26 views

Why the hybridisation of ClO3-(chlorate ion) is sp3?

I am confused about why the hybridisation of chlorate ions is sp3. sp3 hybridisation forms four identical energy levels which three of them each contains one pair of electrons and the one left only ...
-1
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1answer
938 views

Molecular geometry of acetylene

I need to determine the molecular geometry of acetylene, for this I have performed the following procedure: First, we represent the correct Lewis structure. Remember that the Lewis structure is a ...
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1answer
117 views

Is fluorine also hybridised in carbon tetrafluoride?

I had read that when an atom forms multiple bonds, it hybridises it's orbitals to minimise the repulsion and decrease the overall energy. But do the terminal atoms also exist in hybridised form? E.g. ...