On the existence of long C–C bonds between pairs of anions which repel: when and why? A test case on the [TCNE]22−dimers found in ionic crystals
- 18 July 2002
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in CrystEngComm
- Vol. 4 (65), 373-377
- https://doi.org/10.1039/b202400b
Abstract
Many of the Cm[TCNE]n (C = cation) salts have intradimer C–C interactions in the range of 2.9 to 3.5 Å and show the electronic fingerprints associated with C–C bond formation (IR and UV spectra, magnetic properties, structural changes), despite the fact that two [TCNE]˙− anions should repel each other due to purely Coulombic considerations. Herein, we analyze these pairwise interactions in detail for a particular crystal in which such a C–C bond is found, to understand when and why these bonds are formed in a general case.Keywords
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