Structure and Stability of the [TCNE]22- Dimers in Dichloromethane Solution: A Computational Study
Author:
Affiliation:
1. Departament de Química Física, Facultat de Química & CERQT, Parc Cientìfic, Universitat de Barcelona, Av. Diagonal, 647, 08028-Barcelona, Spain, and Department of Chemistry, University of Utah, Salt Lake City, Utah 84112-0850
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp073188i
Reference37 articles.
1. Exceptionally Long (≥2.9 Å) C−C Bonds between [TCNE]− Ions: Two-Electron, Four-Center π*-π* C−C Bonding in π-[TCNE]22−
2. Exceptionally Long (≥2.9 Å) CC Bonding Interactions in π-[TCNE]22 Dimers: Two-Electron Four-Center Cation-Mediated CC Bonding Interactions Involving π* Electrons
3. 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
4. Stable (Long-Bonded) Dimers via the Quantitative Self-Association of Different Cationic, Anionic, and Uncharged π-Radicals: Structures, Energetics, and Optical Transitions
5. Theoretical Analysis of the Electronic Structure and Bonding Stability of the TCNE Dimer Dianion (TCNE)22-
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