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2
votes
1answer
50 views

Why is the 8-electron rule more important than the 2- or 18-electron rule

Why is the fulfilled electronic configuration of only $p$ orbital is stable. I mean why $II-B $ group with fulfilled $d$ orbital,$II-A$ group with fulfilled $s$ orbital...are not stable. Why makes ...
7
votes
3answers
86 views

Bond Length of CO+ is expected to be more than CO but it is found to be less. Why is this so?

According to Molecular Orbital Theory(MOT), the bond order of CO is 3. When CO+ is formed, bond order decreases to 2.5 and thus bond length should increase. However, the bond length of CO+ is found to ...
1
vote
2answers
68 views

Structure of NO2 compound?

What is the correct structure for the NO2 compound (not ion)? I always thought it was like: since the negative charge would be residing the on the highly electronegative oxygen, but was reading ...
2
votes
2answers
83 views

A molecule absorbs light having a specific wavelength, why doesn't it absorb shorter wavelengths?

I am currently studying computational chemistry and I am trying to understand the UV-VIS absorption of molecules. I know that UV-VIS absorption is electronic excitation and requires a specific energy. ...
0
votes
0answers
27 views

Constructing a MH6 MO diagram

I'm wondering how I'd construct an MO diagram for a MH6 complex, M is transition metal and the complex is a linear edge-sharing octahedra chain. This is with a view to potentially constructing a band ...
3
votes
1answer
39 views

Symmetry of an in-phase and an out-of-phase wavefunction “approaching” each other in an MO

Hiho. I have a question concerning this image (Chemistry, Catherine E. Housecroft et al., Pearson Education, 2010). In the text, it states the following: "Each of the new molecular ...
2
votes
1answer
51 views

Solution containing Iodine

The question is:- Iodine dissolves in a variety of solvents forming solutions that are purple, brown or any intermediate shade. This property is due to:- Hydrolysis of iodine ...
2
votes
2answers
99 views

Where does the 9th electron go in a $\ce{N=O}$ bond?

In the first resonating structure you can see 5 unpaired electrons and 4 shared electrons on nitrogen, then isn't this a extended octet? If it is so, then in which orbital that 9th electron is ...
1
vote
1answer
74 views

Which d-orbitals split according to CFT?

According to CFT, the degenerate d-orbitals split into $eg$ and $t_2 g$ groups. Are these the outermost nd orbitals which are vacant(4-d in case of 4th period) or the penultimate filled (n-1)d ...
3
votes
1answer
98 views

Bonding and nodes with molecular orbitals

If there is more overlap of the same sign wave function, this apparently leads to less energy. However, I don't understand why. My professor said that there would be less nodes, and less nodes means ...
1
vote
2answers
166 views

How does electron localization/delocalization work?

I can't find a simplified explanation on this topic. My textbook just adds to the confusion and all I'm really left with are more questions rather than answers. And adding to that question, does ...
0
votes
1answer
208 views

How can the Bonding in IF7 be explained using LCAO method?

I know that the VSEPR theory explains $IF_7$ (iodine heptafluoride)'s structure as a pentagonal bipyramidal one.The valence bond theory can be used to say that it has $sp^3d^3$ hybridisation(i think ...
1
vote
1answer
150 views

Molecular Orbital Diagram question

The molecular orbital diagram for $\ce{O2}$ says that the sigma 2p bonding molecular orbital is lower in energy than the pi 2p bonding molecular orbital. Why is this not the case in the $\ce{B2}$ MO ...
7
votes
1answer
164 views

What utility does the Tau bond model of orbital overlap have?

In his book on molecular orbital theory, Molecular Orbitals and Organic Chemical Reactions, Ian Fleming notes that Pauling formulated an early alternative model to Huckel theory for explaining the ...
3
votes
2answers
361 views

Predicting molecular geometry from a formula

Can someone explain the following types of molecules and predict their structure and shape? It will help my understanding if you could provide an example. ...
4
votes
1answer
507 views

Resonance structure and hybridisation

I was given the first structure, and then drew the other 5 resonance structures. First of all, are they correct? ChemBioDraw had some complaints, but as far as I can see there's the same amount of ...
3
votes
1answer
220 views

Energies of atomic orbitals on molecular orbital diagrams

When we plot molecular orbital diagrams we use a linear combination of atomic orbitals. Where can I find the energies of particular atomic orbitals? In the picture below, the energies of 2s and 2p ...
2
votes
2answers
85 views

How does expansion of electron shells work?

How does it work? I've read that its about the similarity of the energy levels of $3d$ and $3p$, but shouldn't the electron shell $4s$ be filled before $3d$ if filled? So what is done with the $3d$? ...
5
votes
2answers
333 views

Bonding and anti-bonding orbitals in the light of time-dependent Schrödinger equation?

In organic chemistry, people draw 2p orbitals like this: and then they explain how the orbitals combine to non-bonding (π*) or bonding (π) molecular orbitals, like this: depending on whether the ...
4
votes
2answers
331 views

Why are these molecular orbitals invalid for hexatriene?

Here are the MOs (more accurately, the breakdown of the MOs) for conjugated hexatriene: Now, when first asked to draw the MOs myself, I drew this one for $\psi_3$: It still has two nodes, and is ...
7
votes
5answers
1k views

Carbon with 5 bonds?

I've heard that, even though according to Molecular Orbital Theory there is no chance of having nobel gases bonded to each other, it is not totally impossible. For example, under extreme conditions, ...
4
votes
1answer
205 views

Help understanding localized bonding theory

So I understand molecular orbitals and how to do VSEPR models, but I seem to be struggling with understanding localized bonding theory and how to do hybridizations. After drawing the initial lewis ...
5
votes
1answer
181 views

Molecular and Atomic Orbitals and Antibonding

When two atomic orbitals make one molecular orbital there must be an antibonding orbital also. Why should they make also an antibonding molecular orbital.
9
votes
5answers
2k views

What is the chemical structure of H₂SO₄?

I was looking at the chemical structure of H2SO4. Intuitively, I would have expected this molecule to be square planar in a p2d2 or sp2d geometry but rather, it is shown to be in an tetrahedral ...
8
votes
4answers
202 views

Hierarchy of electronic wavefunctions

The previous question contained too much unnecessary information and was edited. I am wondering about the "hierarchy" of wavefunctions. If one can combine atomic orbitals (AO) into molecular orbitals ...
3
votes
1answer
599 views

MO-Scheme of SCN- and its bonding properties when used as a ligand

I tried to figure out the MO-scheme of the tetragonal-bipyramidal complex trans-$\ce{[Co(en)2(NCS)2]SCN}$ in which the isothiocyanate ligands are bound to the $\ce{Co^3+}$-Ion in $\eta^{1}$-mode (en = ...
23
votes
2answers
2k views

Bonding in C2, a carbon-carbon quadruple bond?

Carbon is well known to form single, double, and triple C-C bonds in compounds. There is a recent report (2012) that carbon forms a quadruple bond in diatomic carbon, $\ce{C2}$. The excerpt below is ...
6
votes
1answer
124 views

Is the Springborg 6D phase space model used in modern molecular orbital modeling?

In a series of papers in the early 1980s, Michael Springborg explored an interpretation of the Wigner phase space function as an electron density in a six-dimensional $(q,p)$ phase space. He applied ...
4
votes
1answer
297 views

Why is the benzyne triple bond distorted?

In many places I've seen the "extra" bond in benzyne being labelled as $sp^2-sp^2$ overlap or distorted (not parallel) $p\pi-p\pi$ overlap. But I've failed to see why we can't have a normal, parallel ...