Questions tagged [dipole]

For questions about the dipole moment of a bond or a molecule; its calculation, comparison with other bonds or molecules, affect on molecular properties, etc.

Filter by
Sorted by
Tagged with
2 votes
1 answer
43 views

Best description of forces/ mechanisms that stabilize the interaction between a hydrophobic protein binding pocket and a hydrophobic ligand

This is a more theoretical or definition question that is related to the terms "hydrophobic effect", "hydrophilic interaction", and "van der Waals' forces" (and others I ...
user avatar
3 votes
0 answers
47 views

Can we find dipole moment of water from a familiar property?

There are many videos on Youtube showing deflection of a stream of water by a charged rod. My question is whether we can do a rough calculation of the dipole moment of water molecules using this ...
user avatar
  • 964
0 votes
0 answers
40 views

Comparing dipole moments of hydrogen halides

How can we compare dipole moments of halide ions? As we go down the group, the induced charged hydrogen decreases as electronegativity difference between hydrogen and corresponding halogen decreases ...
user avatar
  • 165
0 votes
0 answers
50 views

How to convert from dipole derivative to atomic units?

I need to convert dipole derivative output by Gaussian into atomic units. The dipole derivative is given in Gaussian in the weird units $(\mathrm{km/mol})^{1/2}$. I know that $\pu{1 D^2/(Å^2amu)}$ = $\...
user avatar
0 votes
0 answers
41 views

Should there be a better explanation on Van Der Waals force? [duplicate]

The explanation on how Van der Waals force forms is this: Van der Waals forces consist of induced, temporary dipoles between neighbouring molecules. These are caused by constantly shifting electron ...
user avatar
  • 171
2 votes
2 answers
238 views

What does Partial charge means in Dipole Dipole forces [duplicate]

Dipole-dipole forces act between the molecules possessing permanent dipole. Ends of the dipoles possess “partial charges” and these charges are shown by Greek letter delta (δ). Partial charges are ...
user avatar
  • 124
0 votes
0 answers
47 views

Are spontaneous/induced dipoles the same as van der Waals forces?

I am puzzled by the names of dipoles. What is the difference among permanent dipoles, spontaneous dipoles, van der Waals forces, and intermolecular forces? Does "The intermolecular force" ...
user avatar
  • 1
1 vote
0 answers
74 views

Quantitatively Calculate Dipole Moment [duplicate]

Recently, I have been reading up on articles relating to the dipole moments of different molecules (specifically this). I see how they can get bond lengths and experimental dipole moments with ...
user avatar
8 votes
2 answers
391 views

Differences between formulae for dipole–dipole interaction energy

I came across two formulae for dipole-dipole interaction energies on Chemistry LibreTexts — Dipole-Dipole Interactions: $$V=-\frac{2\mu_1 \mu_2}{4\pi\epsilon_0r^3}\tag{3}$$ and $$V=-\frac{2\mu^2_\...
user avatar
  • 657
2 votes
0 answers
64 views

Why is the intensity of the IR spectra of IBr higher than that of ICl?

Why is the intensity of the IR spectra of $\ce{IBr}$ higher than that of $\ce{ICl}$? I know that the IR spectra intensities are proportional to the derivative of the dipole moment with internuclear ...
user avatar
  • 141
1 vote
0 answers
85 views

Dielectric polarization: how to identify what part of the total polarization (dipolar+electronic+ionic) I need (conceptual question, I use DFPT, VASP)

I am doing polarization calculations to get data for use in other calculations. To start with, I want to calculate the static dielectric constant. However, I'm a newbie to polarization and it is a ...
user avatar
  • 149
0 votes
0 answers
122 views

TD-DFT transition dipole moment vector does not align with experimental data

I have been modelling excited states of some molecules with similar stucture using TD-DFT theory, however, I have encountered an issue that sometimes transition dipole moment does not align with the ...
user avatar
1 vote
1 answer
376 views

What is the direction of the net electric dipole moment in hydronium H3O+?

Assuming electric dipole moment points towards the negative charge, what would its direction be in hydronium? Although the bonding electron density is distorted towards the more electronegative oxygen,...
user avatar
2 votes
2 answers
173 views

Net direction of dipole moment in oxygen difluoride

What is the net direction of dipole moment in $\ce{F2O}$ molecule? In the case of $\ce{NH3}$ and $\ce{NF3}$ molecules both have net dipole moment with direction reversed due to strong ...
user avatar
1 vote
0 answers
149 views

When do lone pairs affect dipole moments?

My textbook says that NH3 has more dipole moment than NF3 despite F being more electronegative than H, because the dipole moment due to the lone pair on N points in the same direction as the ones due ...
user avatar
1 vote
3 answers
2k views

Why hydrogen bonds are stronger than Van der Waals forces?

Why the hydrogen bonds are more intense than Van der Waals forces in the case where the molecules with the Van der Waals forces have a stronger dipolar moment than the molecules with the hydrogen bond?...
user avatar
  • 201
4 votes
0 answers
346 views

Why do molecules showing a pure rotational spectra require a permanent dipole?

I understand that pure rotational spectra only exist for molecules which have a permanent dipole moment. The common explanation is "so that they can interact with the E-field of the incoming ...
user avatar
  • 163
-2 votes
1 answer
242 views

How is dipole moment of ammonia less than sulphur dioxide? [closed]

Sulphur dioxide has only two bonds at 180º so shouldn't the dipole moment of molecule be 0 and as ammonia has 1 lone pair so it's dipole can't be 0 so how Sulphur dioxide has more dipole moment than ...
user avatar
  • 7
-1 votes
1 answer
88 views

How does this rotation minimize the dipole moment?

A paper I'm reading says: The low energy conformation of 3 minimizes the overall dipole moment of the compound and thus rotates the exocyclic amide 180° from desired conformation, as can been seen in ...
user avatar
1 vote
4 answers
2k views

Why does ozone have a dipole moment different than 0 [duplicate]

First of all, I know that the reason for this is the bent structure of the molecule. However, we were taught in my class that the dipole moment of a molecule is equal to the vector sum of the dipole ...
user avatar
  • 159
7 votes
3 answers
734 views

Dipole moment of (1s,2s,3s)-1,2,3-trichlorocyclopropane

Which of the following compounds has a zero dipole moment? Only one of the options is correct According to me, it looks like both options (c) and (d) are right. Since the dipole moments of option (c) ...
user avatar
  • 237
0 votes
1 answer
324 views

Estimation of dipole moments in aromatic compounds

If it asks to compare dipole moment in aromatic compounds then do we see inductive or resonance effects or do we see a mix of both? E.g. we have to compare dipole moment in pyrrole and furan then in ...
user avatar
  • 274
2 votes
1 answer
1k views

Relative strength of intermolecular forces [duplicate]

My attempt at a solution: First I look for hydrogen bonds: The only compounds with hydrogen bonds are the second and fourth ones, so they have the strongest intermolecular forces. The second must have ...
user avatar
0 votes
0 answers
34 views

Dipole moments of cis and gem alkenes [duplicate]

The procedure for comparing dipole moments for cis- and trans-alkenes is quite easy, but how to compare dipole moments of 1,1 dichloroethene (1); and cis-dichloroethene (2)? My teacher told me that ...
user avatar
1 vote
0 answers
63 views

Factors dominating forces between acetone and chloroform

What type of interaction is present between acetone and chloroform? According to me, acetone has weak hydrogen-bonds with chloroform, the hydrogen on an electronegative atom has electron density that ...
user avatar
  • 31
2 votes
1 answer
1k views

Why HBr has stronger attraction between molecules than CH3NH2?

Which of the following compounds exhibits dipole-dipole forces as its strongest attraction between molecules? a) $\ce{CO2}$ b) $\ce{CH3NH2}$ c) $\ce{Kr}$ d) $\ce{H2}$ e) $\ce{HBr}$ From what I ...
user avatar
  • 205
-3 votes
2 answers
3k views

Why is CH4 Nonpolar but CH2Cl2 is polar?

I keep reading that the reason why $\ce{CH2Cl2}$ is polar because due to its tetrahedral shape, the dipoles can not cancel each other out but doesn't $\ce{CH4}$ also have tetrahedral shape too? I ...
user avatar
0 votes
0 answers
35 views

What is the link between the classical and quantum definition of the symmetry number?

From what I understand, the symmetry number for a molecule can be defined in 2 ways: 1. The quantum mechanical symmetry number corrects for overcounting the number of possible rotational states of a ...
user avatar
  • 619
0 votes
0 answers
41 views

Deriving the absorption coefficient from state transitions

This source states that the absorption coefficient $\gamma$ is proportional to the difference in particle number density $\Delta n$ per unit volume between the initial and the final rotational state ...
user avatar
  • 619
9 votes
0 answers
322 views

Why does 1,4-diiodobenzene have a non-zero dipole moment?

From this answer, I came to know that 1,4-diiodobenzene has a dipole moment of $0.19~\rm D$ in benzene at $20\ ^\circ\rm C$. On the basis of symmetry, I'd expect the bond moments due to the difference ...
user avatar
  • 1,982
7 votes
1 answer
366 views

Dipole Moment of p-dibromobenzene

What is the dipole moment of p-dibromobenzene? I know that p-dichlorobenzene has zero dipole moment, but my teacher said that this is not the case for bromine. I am still confused and feel its dipole ...
user avatar
4 votes
3 answers
772 views

The meaning of permanent dipole moment

I was asked in one question that which of all given molecules have a permanent dipole moment? And $\ce{XeF6}$ was given as a correct answer quoting that it is a distorted octahedral, and hence the ...
user avatar
0 votes
2 answers
586 views

How do you explain partial charges in molecules that have a dipole? [closed]

For example if i have hydrogen and fluorine covalently bonded with each other, it would result in a polar molecule with the valence electrons being pulled closer to the fluorine than it is to the ...
user avatar
  • 15
1 vote
1 answer
54 views

Raman scattering and "electron and proton center" of molecule

I am currently studying the textbook Infrared and Raman Spectroscopy, 2nd edition, by Peter Larkin. In a section entitled The Raman Scattering Process, the author says the following: Light scattering ...
user avatar
  • 1,035
2 votes
2 answers
4k views

Which has greater dipole moment: cis-1,2-dichloroethylene or 1,1-dichloroethylene?

Which has greater dipole moment: cis-1,2-dichloroethylene or 1,1-dichloroethylene? I know that dipole moment depends upon the strength of dipole and angle between the dipoles. 1,1-Dichloroethylene ...
user avatar
1 vote
0 answers
275 views

Why is the net dipole moment of carbon dioxide equals zero [closed]

Why is the net dipole moment of carbon dioxide equal to zero? And what is the partial charge of carbon in co2? Is it +2 because it forms two polar bonds or if they cancel the effect of each other due ...
user avatar
  • 29
1 vote
0 answers
218 views

Different direction of dipole moment in physics and chemistry [duplicate]

In chemistry, we learn that dipole moment tells us about measure of polarity in a molecule. In books, it is written that "conventionlly the direction of dipole moment is from electropositive to ...
user avatar
  • 444
1 vote
0 answers
44 views

it is possible for the hydrogen bond to form between the hydrogen chloride molecule, HCl? [duplicate]

Recently I'm doing my work, and I can't find what it is the answer. Can you guys help me?
user avatar
5 votes
1 answer
925 views

What is the relationship between dipole moment and solubility?

I thought a large dipole moment meant the substance was polar, so I'm confused by the following statement (from Wikipedia) that "With a dipole moment of 3.92 D, acetonitrile dissolves a wide range of ...
user avatar
15 votes
5 answers
4k views

Is the carbon atom in the carbon dioxide molecule partially positive?

I had a question about nonpolar molecules that have symmetrical dipole vectors. Let's take $\ce{CO2}$ as an example. Each of the $\ce{C=O}$ bonds are pulling in the opposite way. My teacher says that ...
user avatar
  • 1,400
1 vote
0 answers
103 views

Effect of ionization on dipole moment

Suppose we have a non-dipolar molecule such as carbon dioxide. If carbon dioxide is ionized by some means in the gas-phase, will it develop a dipole moment? I am asking with reference to microwave ...
user avatar
  • 33k
-3 votes
1 answer
710 views

Comparison of the dipole moments of CHCl3 and CBrCl3 [closed]

Consider compounds $\ce{CHCl3}$ and $\ce{CBrCl3}$: Which compound has the larger dipole moment? Explain your choice. Okay, so I've been trying to figure it out and I thought dipole moment had to do ...
user avatar
2 votes
0 answers
512 views

Dipole Moment of the following organic compounds [closed]

Question: Which of the following compounds will show highest dipole moment and why? I figured out that, (4)th compound is very symmetric - so net dipole moment on the compound must be null. How ...
user avatar
-1 votes
1 answer
638 views

Which has a greater dipole moment: methylamine or methanol? [closed]

Which has a greater dipole moment: methylamine $(\ce{CH3NH2})$ or methanol $(\ce{CH3OH})?$
user avatar
-1 votes
1 answer
961 views

Why is the Sulphur Dioxide molecule polar? [closed]

I am in 12th standard and was revising the concept of determining which polyatomic molecule can be polar and which can be non polar. So when this example was given we were told that vertical dipole ...
user avatar
2 votes
2 answers
286 views

Why does dipole must lie parallel to a rotation symmetry axis?

While studying group theory, I've got confused by the following statement: For a molecule to have a permanent dipole moment, it must have an asymmetric charge distribution. The point group of the ...
user avatar
  • 21
1 vote
0 answers
72 views

Why London force dominates in Alkyl Halides

Why London Force is greater than dipole-dipole interactions in Alkyl Halides? As we know that most of the time London force is weaker than other forces. Then why in this case it's not so? ...
user avatar
  • 21
5 votes
2 answers
651 views

Link between centrosymmetry, dipole moment and chirality

What is the relationship between the three concepts in the title? I know all centrosymmetric molecules are achiral, but not all achiral molecules are centrosymmetric. Thus, there are no molecules ...
user avatar
0 votes
0 answers
61 views

Theoretically predict the density of water

Is it possible to predict the density of water having just its molecular structure (basically obtain 1 g/cm3 at 3.96 °C)? Are you aware of research/textbook that dive into this topic? Is it able to ...
user avatar
2 votes
0 answers
61 views

Do I understand correctly that simulation volume influences relative permittivity calculations? If so, how is the result useful?

I am having a lot of trouble understanding the influence of volume on relative permittivity/static dielectric constant. I'm not a chemist, but am using molecular dynamics to calculate relative ...
user avatar
  • 73