Friday, August 7, 2015

A Molecular Nanotube with Three-Dimensional π-Conjugation

Neuhaus, P.; Cnossen, A.; Gong, J. Q.; Herz, L. M.; Anderson, H. L. Angew. Chem. Int. Ed. 2015, 54, 7344-7348
Contributed by Steven Bachrach.
Reposted from Computational Organic Chemistry with permission

I don’t really have anything to say about this recent paper by Anderson, et al.1 They have simply prepared a very beautiful structure, an aryllated analogue of 1. They even optimized the structure of 1 at BLYP/6-31G(d) and it’s shown in Figure 1. That must have taken some time!

Figure 1. BLYP/6-31G(d) optimized structure of 1.
(Remember that you can manipulate this structure by simply clicking on in, which will launch the JMol app.)


References

(1) Neuhaus, P.; Cnossen, A.; Gong, J. Q.; Herz, L. M.; Anderson, H. L. "A Molecular Nanotube with Three-Dimensional π-Conjugation," Angew. Chem. Int. Ed. 201554, 7344-7348, DOI:10.1002/anie.201502735.



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