4.6 Article

What is the nature of the long bond in the TCNE22- π-dimer?

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 6, Issue 9, Pages 2008-2011

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/b403450c

Keywords

-

Ask authors/readers for more resources

The TCNE22- pi-dimer has many of the characteristics of a chemical bond despite its remarkably long (2.9 Angstrom) C-C bondlength, as it exists in crystalline solids. Using computational methods, we examine the nature of this long bond by obtaining potential energy curves that are, for the first time, in satisfactory agreement with recent experiments. We find that the unusually long C-C bond observed in pi-TCNE22- dimers is in fact an outcome of significant dispersion attractions between the two cofacial monomers, as well as their (partial) intradimer pi-bonding interactions.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available