# 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.

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### How to calculate transition dipole moment from two known wavefunctions

I am interested in calculating the transition dipole moment (TDM) from the information from two wavefunctions of different states. This is somewhat similar to calculating the molecular dipole moment ...
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### 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 ...
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### Program to compute multipoles of water at CCSD(T)-F12 accuracy

I want to compute traceless cartesian electrostatic multipole moment tensors up to fourth order (hexadecapole), at CCSD(T)-F12 accuracy using a large basis set. I'd like to be able to choose the ...
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### How to explain the periodic trends in boiling points in groups?

Observing the trend of boiling points of the compounds listed, choose the appropriate terms to fit into the blanks: \begin{array}{lr} \hline \text{Compound} & \text{b.p.}/\pu{°C}\\ \hline \ce{H2Te}...
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### 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 ...
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### 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 ...
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### Why is there only little difference between molecular dipole moments in CHX3 compounds (X = Cl, Br, I)?

Why is there only little difference between molecular dipole moments in $\ce{CHX3}$ compounds ($\ce{X}$ = $\ce{Cl}$, $\ce{Br}$, $\ce{I}$)? As we can see there is a huge difference in dipole moment of ...
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### 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 ...
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### 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 ...
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### Perturbation theory for molecules, chromophore group, dipole approximation,

I am interesting in chromophore group and dipole approximation. For example, i have a molecule (acetone or any other ketone/enol) which is belongs to some symmetry group. Because of the symmetry ...
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### For a given period, why is the boiling point of the halogen greater than that of the noble gas?

The boiling point of bromine, a halogen, is $\pu{58.8^\circ C}$, while the boiling point of krypton, the noble gas in the same period as bromine, is $\pu{-153.4 ^\circ C}$. I thought that the larger ...
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### What is the need for dipole moment if electronegativity already exists?

Say we have an HCl molecule. The difference in electronegativities of the H and Cl atoms tells us how polar the HCl molecule is. The dipole moment is also a measure of the degree of polarity in ...
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### Lone pair and dipole moment of ozone

(This is a question similar to this and this, but none of the answers to those two questions answer my question.) I've seen many places explain the dipole moment of ozone from the formal charges of ...
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### Which has more ionic character, LiF or K2O?

After drawing the structures of both and considering dipole moment, doesn't it seems that all K2O should have more ionic character than LiF? My textbook says its LiF.
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### How does hot air remove guests from cyclodextrin?

Cyclodextrin, as I know, has a hydrophobic cavity. Therefore, it would absorb hydrophobic organic compounds. But the organic compound can also be removed with hot air since the interaction between the ...
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### 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 ...
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### 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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Consider a covalent molecule such as carbon tetrafluoride. In $\ce{CF4}$, each $\ce{C-F}$ bond is polar covalent. However, this substance is considered overall non-polar because each bond dipole ...