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For questions about chemical bonds (ionic/covalent/etc.), their properties (length, energy, angle, etc.) or their relation to other molecular properties (intermolecular forces/dipole moment/etc.). Do not confuse this tag with [lewis-structures], [dipole], [intermolecular-forces], etc.
6
votes
C-N bond lengths in 2-bromo-1,3,5-trinitrobenzene
As I thought this could be interesting because I would have argued the same way as both of you did I have done some geometry optimizations.
The final niveau was B3LYP-D3/def2-QZVPP in the gas phase ( …
2
votes
Is there a definition of rotatable bond?
The IUPAC Gold Book states at least somthing to free rotation:
free rotation (hindered rotation, restricted rotation)
In a stereochemical context the rotation about a bond is called 'free' when the rotational … The inhibition of rotation of groups about a bond due to the presence of a sufficiently large rotational barrier to make the phenomenon observable on the time scale of the experiment is termed hindered …
11
votes
What is the highest known bond order?
In the paper that you've mentioned$^{\ast1}$, there is something described, which is called effective bond order ($\mathrm{EBO}$). … Ugalde, Ivan Infante, "Molecules with High Bond Orders and Ultrashort Bond Lengths: $\ce{CrU, MoU,}$ and $\ce{WU}$," Inorg. Chem. 2013, 52(6), 2838–2843 (https://doi.org/10.1021/ic301657c). …
9
votes
Accepted
Stability of beryllium carbonate
Why and how is this stability maintained?
Beryllium carbonate decomposes into Beryllium oxide and Carbon dioxide.
$$\ce{BeCO3 <=> BeO + CO2}$$
According to Le Chatelier's principle one simply ha …
4
votes
The proper explanation for the general formula of the DU?
As every single bond contains two electrons, the amount of all possible bonds is half the amount of all valence electrons, namely $$\sum_{i=1}^N \frac{n_i~v_i}{2}$$
Let's try it with the mass formula …