Are these molecules Jahn-Teller Distorted? A Problem Set**


The [Co(H2O)6]2+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.



To simplify:

Reference: CSD Code: AJIDON
W. Zhang, Y.T. Chen.
Acta Crystallogr., Sect E: Struct. Rep. Online, Vol 65 p m1548, 2009
R = 2.52
The reported average uncertainty in (C-C) bond lengths range from 0.001 to 0.005 Å
And note, there are no C-C bonds in this complex ion however the ion co-crystallized with a anion having C-C bonds
Does this molecule exhibit a Jahn-Teller Distortion?
Be sure to note if the relevant bond lengths you are comparing either fall within experimental error of each other or are different enough outside of the experimental error to justify your answers in all answers
To determine bond lengths:
You can either click (some platforms you need to right click) on the Jsmol icon and choose Measurements
You can use the tools provided such as "Display Measurements"
You can also choose if your distances are reported in Angstroms, nanometers or picometers
We have found we obtain the highest number of significant figures if we measure in picometers

The [Co(NH3)6]3+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.


To simplify:

Reference: CSD Code: ASAWOH01
R. W. Seidel, R. Goddard, V. Gramm, U. Ruschewitz
Z. Naturforsch., B: Chem.Sci., Vol, 69, p 277, 2014
R = 5.55
The reported uncertainty in bond lengths range from 0.006 to 0.010 Å
Does this molecule exhibit a Jahn-Teller Distortion?


The Fe(H2O)63+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.


To simplify:

Reference: CSD Code: KAPJAO
C.Nitschke, M.Kockerling
Inorg. Chem, Vol 50, p. 4313, 2011
R = 2.35
The authors reported the uncertainty in the Fe-O bond lengths as 0.0006 Å
Does this molecule exhibit a Jahn-Teller Distortion?


The Fe(H2O)62+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.


To simplify:

Reference: CSD Code: AMITAR
Hai-Liang Zhu, Dong-Sheng Xia, Qing-Fu Zeng, Zao-Gui Wang, Da-Qi Wang
Acta Crystallogr., Sect. E: Struct. Rep. Online, Vol 59, m 1020, 2003
R = 4.25
The authors report uncertainty in bond lengths that range from 0.001 to 0.005 Å
Does this molecule exhibit a Jahn-Teller Distortion?


The V(H2O)62+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.


To simplify:

Reference: CSD Code: VEPSUE
D.G.L. Holt, L.F. Larkworthy, D.C. Povey, G.W. Smith, G.J. Leigh
Inorg. Chim. Acta, Vol 169, 1990, p. 201.
R = 4.7
Uncertainty in bond lengths are not given in the CSD Entry
Does this molecule exhibit a Jahn-Teller Distortion?


The V(H2O)63+ Cation
Do you expect this complex ion to have a Jahn-Teller Distortion?
Explain why or why not.


To simplify:

Reference: CSD Code: COLNUM01
Note: this is a neutron diffraction study
F.A. Cotton, C.K. Fair, G.E. Lewis, G.N. Mott, F.K. Ross, A.J. Schultz, J.M. Williams
J. Am. Chem. Soc., Vol 106 , 1984, p. 5319
R = 6.7
The authors report the uncertainty in the V-O bond lengths of 0.002 Å
Does this molecule exhibit a Jahn-Teller Distortion?

** Questions for students are highlighted in red
Note: Each complex ion shown here is the counter ion in a crystalline sample of other molecules/ions and is therefore only a subset of the full X-ray or neutron diffraction structure cited
Also to note: all the structures shown in this problems set, other ions and molecules that are not shown can influence the 3D structures. For the purposes of this set of exercises, those influences are small enough to be ignored.