Questions tagged [symmetry]
The description of the symmetry present in molecules. Molecular symmetry is useful for explaining or predicting of a molecule's chemical properties.
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Amplitudes and phases of transform of an image
I have recorded an image of a large macromolecule and after several types of image analysis, have obtained a rotationally averaged image, that is not quite perfect, but appears to show 6-fold symmetry....
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Equivalent points for 3 fold and 6 fold symmetry
In a crystal Lattice how to find the equivalent points for 3 fold and 6 fold symmetry?
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Electronic configuration and symmetry labels of 3d$^7$ ions
In 3d$^7$ ions, e.g. Co$^{2+}$, the ground state is $^4$F, and it contains different levels due to the crystal field, such as $^4T_{1g}$, $^4T_{2g}$ and $^4A_{2g}$. Can anyone tell me what exactly ...
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How do I assign functions for cartesian coordinates and rotations to irreducible representations of a character table?
I do not really understand the intuition behind the functions assigned to irreducible representations.
For example, in H₂O, the A₂ representation is given by
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High symmetry points and x-coordinates
Is it possible to work out the x-coordinates related to high symmetry points?
The software I'm using doesn't provide me with that, so I was wondering if there is a way to manually figure it out, as I ...
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D-orbitals of point group C2v
I'm trying to construct an MO diagram for cisplatin, which has C2v symmetry. However, there is no Mulliken label for the d(x^2-y^2) orbital in the character table. Does this orbital not form molecular ...
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electronic transition for polyenic molecules
I am having troubles with polyenes states symmetry.
I found an exercise on the pentadien, where they ask us to analyze the symmetry of the singlet excited states corresponding to:
State S1: π+ →π+
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Tetrahedral complex and vibronic coupling or different rule for d-d transition?
I'm currently preparing a few slides for an upcoming talk in our group. I would like to mention some of the very basics regarding crystal field and ligand field theory as well, though this will not be ...
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$Q_3$ is symmetric with respect to the $\sigma_v$ operation?
I am currently studying the textbook Infrared and Raman Spectroscopy: Principles and Spectral Interpretation, second edition, by Peter J. Larkin. Section 8. Symmetry: Infrared and Raman Active ...
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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 ...
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Why sigma bond has C2 symmetry not C∞?
I have seen some books indicated sigma bond has C2 symmetry. I understand pi and delta bond change their signs about C2 and C4 rotation about bond axis, but I don't understand why sigma bond has C2 ...
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Stabilizing donor-acceptor interaction between orthogonal orbitals in the SN2 transition state?
For the $\mathrm{S_N2}$ reaction between chloroacetone and iodide, my professor has drawn a donor-acceptor interaction between the iodine lone pair attacking the Cl-substituted carbon and the π ...
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N2 symmetry representation in higher symmetry groups (D3h...)
I'd like to describe the symmetry of the ground state of $N_2$ in the higher symmetry groups like $D_{3h}$ and $D_{\infty h}$.
In this answer the topic is covered very good, but only for $D_{2h}$ ...
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What is a quick and easy way to find an alternative axis of symmetry?
According to a question in my book (1R,3R)-1,3-dichloro-2,2-bis[(S)-chloro(2H1)methyl](1,3-2H2)propane has an S4 alternative axis symmetry. I tried trial-and-error method using an axis that passes ...
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Does Ni(H2O)6 have Oh symmetry or Th?
I optimized a geometry of $\ce{Ni(H2O)6}$ using quantum chemistry and got a molecule which is symmetrical for the $\ce{Ni-O}$ distances as shown
here:
In the literature it says that this complex has ...
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